Sugi Predict

Sugi Predict / Compounds / SCHEMBL441754

SCHEMBL441754

SCHEMBL441754

Nc1cccc(OCCNC(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 2/20 0.52
▸ MTNR1B P49286 2/20 0.52
▸ F10 P00742 2/20 0.52
▸ POLB P06746 1/20 0.51
▸ HPGD P15428 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TSHR P16473 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ MAOB P27338 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ PPARD Q03181 1/20 0.46

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
SCHEMBL9953676 0.95 L3MBTL1 (0.53) MTNR1AMTNR1BF10POLBHPGD
SCHEMBL18041280 0.91 KDM4E (0.49) MTNR1AMTNR1BF10POLBHPGD
SCHEMBL25247465 0.91 TSHR (0.55) MTNR1AMTNR1BPOLBHPGDTSHR
SCHEMBL25228989 0.90 TSHR (0.57) MTNR1AMTNR1BPOLBTSHRMAOB
SCHEMBL25242154 0.90 TSHR (0.57) MTNR1AMTNR1BPOLBTSHRMAOB
SCHEMBL25380954 0.83 DRD2 (0.60) MTNR1AMTNR1BF10POLBHPGD
SCHEMBL3968441 0.82 MTNR1A (0.54) MTNR1AMTNR1BF10POLBHPGD
SCHEMBL3446802 0.81 MTNR1A (0.73) MTNR1AMTNR1BPOLBHPGDSMN1; SMN2
SCHEMBL16062286 0.81 KDM4E (0.60) MTNR1AMTNR1BPOLBHPGDSMN1; SMN2
SCHEMBL3038681 0.80 HPGD (0.53) F10HPGDSMN1; SMN2TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3906233-B1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL MED MOUNT SINAI (US) 2024-01-31 — — EP disclosed
US-20230406858-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. 2023-12-21 — — US disclosed
US-11780842-B2 TYK2 pseudokinase ligands VENTYX BIOSCIENCES, INC. (US) 2023-10-10 — — US disclosed
US-20220169651-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. 2022-06-02 — — US disclosed
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-05-26 — — US disclosed
EP-3946350-A1 TYK2 PSEUDOKINASE LIGANDS Ventyx Biosciences, Inc. (US) 2022-02-09 — — EP disclosed
EP-3906233-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE Icahn School of Medicine at Mount Sinai (US) 2021-11-10 — — EP disclosed
WO-2020198379-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. (US) 2020-10-01 — — WO disclosed
WO-2020142485-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2020-07-09 — — WO disclosed
EP-1824856-B1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2013-10-23 — — EP disclosed
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES FREYNE EDDY JEAN EDGARD (BE) 2012-03-15 — — US disclosed
EP-2414337-A1 METHODS FOR THE IDENTIFICATION OF KINASE INTERACTING MOLECULES AND FOR THE PURIFICATION OF KINASE PROTEINS CELLZOME AG (DE) 2012-02-08 — — EP disclosed
EP-2340242-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-06 — — EP disclosed
WO-2010112210-A1 METHODS FOR THE IDENTIFICATION OF KINASE INTERACTING MOLECULES AND FOR THE PURIFICATION OF KINASE PROTEINS CELLZOME AG (DE) 2010-10-07 — — WO disclosed
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-24 — — US disclosed
WO-2010048332-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-29 — — WO disclosed
EP-1831184-A2 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS The Wellcome Trust Limited (GB) 2007-09-12 — — EP disclosed
EP-1824856-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-29 — — EP disclosed
WO-2006067466-A2 PYRAZINES AND PYRIDINES AND DERIVATIVES THEREOF AS THERAPEUTIC COMPOUNDS THE WELLCOME TRUST LIMITED (GB) 2006-06-29 — — WO disclosed
WO-2006061415-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2006-06-15 — — WO 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 (6 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-11780842-B2 TYK2 pseudokinase ligands TYK2, JAK2, PTK2B MTNR1A 2703/4885MTNR1B 2454/4885F10 3207/4885
US-20220162182-A1 KINASE INHIBITOR COMPOUNDS AND COMPOSITIONS AND METHODS OF USE MAP3K20, MAP3K1, PACSIN2 MTNR1A 1526/4885MTNR1B 1154/4885F10 3429/4885
US-20230406858-A1 TYK2 PSEUDOKINASE LIGANDS TYK2, JAK2, PTK2B MTNR1A 2703/4885MTNR1B 2454/4885F10 3207/4885
US-20220169651-A1 TYK2 PSEUDOKINASE LIGANDS TYK2, JAK2, PTK2B MTNR1A 2703/4885MTNR1B 2454/4885F10 3207/4885
US-20120065395-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR0B1, NR1H3, NCOA3 MTNR1A 142/4885MTNR1B 250/4885F10 1592/4885
US-20100160310-A1 2,4 (4,6) PYRIMIDINE DERIVATIVES NR1H3, NR1H2, NR0B1 MTNR1A 133/4885MTNR1B 231/4885F10 2016/4885

“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.