Sugi Predict

Sugi Predict / Compounds / SCHEMBL8238795

SCHEMBL8238795

SCHEMBL8238795

CN(C)c1ccc(CC(=O)C(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.48
▸ TSHR P16473 3/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HDAC1 Q13547 2/20 0.47
▸ MAPT P10636 4/20 0.45
▸ HPGD P15428 3/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ HRH3 Q9Y5N1 2/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ KDM4E B2RXH2 4/20 0.42
▸ GAA P10253 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ ALOX15 P16050 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18751674 0.85 CES1 (0.46) ALDH1A1TSHRMAPK1HPGDKDM4E
SCHEMBL16980999 0.82 NR1H4 (0.38) ALDH1A1CYP3A4HDAC1MAPTKMT2A
SCHEMBL16722805 0.79 ELANE (0.52) ALDH1A1HPGDKMT2AKDM4EHSD17B10
SCHEMBL10611271 0.79 ALDH1A1 (0.56) ALDH1A1TSHRTDP1MAPK1CYP3A4
SCHEMBL8725860 0.79 AOC3 (0.41) ALDH1A1TSHRTDP1CYP3A4HDAC1
SCHEMBL11389533 0.78 HPGD (0.55) ALDH1A1TDP1HPGDKMT2AGAA
SCHEMBL8980228 0.78 CA2 (0.56) MAPK1KDM4ENPC1RAB9A
SCHEMBL2862421 0.78 ALDH1A1 (0.54) ALDH1A1TSHRTDP1MAPK1CYP3A4
SCHEMBL18116111 0.78 CA2 (0.56) ALDH1A1TSHRTDP1MAPTHPGD
SCHEMBL202439 0.78 CA2 (0.56) ALDH1A1TSHRTDP1MAPK1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 — — US disclosed
US-20230227437-A1 IMMUNOMODULATOR HITGEN INC (CN) 2023-07-20 — — US disclosed
US-20230227437-A1 IMMUNOMODULATOR HITGEN INC (CN) 2023-07-20 — — US disclosed
US-20230159465-A1 IMMUNOMODULATOR HITGEN INC. (CN) 2023-05-25 — — US disclosed
US-20230159465-A1 IMMUNOMODULATOR HITGEN INC. (CN) 2023-05-25 — — US disclosed
US-9974790-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2018-05-22 — — US disclosed
US-9814722-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-11-14 — — US disclosed
US-9662335-B2 Heteroaryl substituted pyrrolo[2,3-B] pyridines and pyrrolo[2,3-B] pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2017-05-30 — — US disclosed
US-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION 2017-03-16 — — US disclosed
US-20160346286-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors INCYTE CORPORATION 2016-12-01 — — US disclosed
US-8486370-B2 Heterocyclic ligands for integrin imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-16 — — US disclosed
US-8486370-B2 Heterocyclic ligands for integrin imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-07-16 — — US disclosed
US-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2013-05-30 — — US disclosed
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2013-01-31 — — US disclosed
US-20110223210-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION, A DELAWARE CORPORATION 2011-09-15 — — US disclosed
US-20110224157-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION, A DELAWARE CORPORATION 2011-09-15 — — US disclosed
US-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-09 — — US disclosed
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS Incyte Corporationn, a Delaware corporation 2010-01-28 — — US disclosed
US-7576175-B2 Amino acid terminated diphenylurea derivatives; display high binding affinity, specificity, and stability; use in treating cancer, inflammatory diseases, and autoimmune diseases THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-08-18 — — US disclosed
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-01-26 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (12 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100310455-A1 Heterocyclic Ligands for Integrin Imaging and Therapy ITGA1, ITGAL, ITGA4 ALDH1A1 1275/4885TSHR 637/4885TDP1 4596/4885
US-20170071947-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 ALDH1A1 3413/4885TSHR 3192/4885TDP1 1172/4885
US-20230159465-A1 IMMUNOMODULATOR IL2, IL17A, IL2RA ALDH1A1 302/4885TSHR 2457/4885TDP1 4681/4885
US-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ALDH1A1 3413/4885TSHR 3192/4885TDP1 1172/4885
US-20130029967-A1 Fused Imidazo [3,2 - D] Pyrazines as P13 Kinase Inhibitors MTOR, PIK3CA, CDK2 ALDH1A1 2666/4885TSHR 2276/4885TDP1 3898/4885
US-20230227437-A1 IMMUNOMODULATOR IL17A, IL2, IL2RA ALDH1A1 261/4885TSHR 3265/4885TDP1 4711/4885
US-20110224157-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ALDH1A1 3413/4885TSHR 3192/4885TDP1 1172/4885
US-20060019900-A1 Alpha-4 beta-1 integrin ligands for imaging and therapy ITGA4, ITGB4, ITGA1 ALDH1A1 1238/4885TSHR 1254/4885TDP1 4025/4885
US-20160346286-A1 Heteroaryl Substituted Pyrrolo[2,3-B] Pyridines And Pyrrolo[2,3-B] Pyrimidines As Janus Kinase Inhibitors JAK3, JAK1, JAK2 ALDH1A1 3413/4885TSHR 3192/4885TDP1 1172/4885
US-20110223210-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ALDH1A1 3413/4885TSHR 3192/4885TDP1 1172/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 ALDH1A1 3413/4885TSHR 3192/4885TDP1 1172/4885
US-20100022522-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 ALDH1A1 3413/4885TSHR 3192/4885TDP1 1172/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.