Sugi Predict

Sugi Predict / Compounds / SCHEMBL13058596

SCHEMBL13058596

SCHEMBL13058596

COCc1ccnc(C(C)(C)C)c1C#N

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.40
▸ KDM4E B2RXH2 9/20 0.40
▸ HPGD P15428 9/20 0.40
▸ GAA P10253 2/20 0.40
▸ HSD17B10 Q99714 6/20 0.38
▸ HTT P42858 2/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ SQOR Q9Y6N5 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL22549253 0.82 PDE9A (0.36) ALDH1A1KDM4EHPGDHSD17B10NPSR1
SCHEMBL12775297 0.79 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDGAAHTT
SCHEMBL15691388 0.79 KDM4E (0.46) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL13082137 0.76 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDGAAHSD17B10
SCHEMBL24858202 0.73 KDM4E (0.48) KDM4EGAAHTTL3MBTL1MAPT
SCHEMBL18195530 0.73 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL13058728 0.73 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDGAAHTT
SCHEMBL22543788 0.73 SQOR (0.38) ALDH1A1KDM4EHPGDGAAHTT
SCHEMBL13058625 0.71 LMNA (0.35) ALDH1A1KDM4EHPGDGAAHTT
SCHEMBL25791602 0.71 KDM4E (0.45) KDM4EGAAHTTL3MBTL1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334274-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE HOLDINGS CORPORATION (US) 2016-05-10 — — US disclosed
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2014-08-07 — — US disclosed
US-8716303-B2 N-(hetero)aryl-pyrrolidine derivatives of pyrazol-4-yl-pyrrolo[2,3-d]pyrimidines and pyrrol-3-yl-pyrrolo[2,3-d]pyrimidines as janus kinase inhibitors INCYTE CORPORATION (US) 2014-05-06 — — US disclosed
US-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2010-11-25 — — 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 (2 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-20100298334-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 2342/4885KDM4E 1282/4885HPGD 972/4885
US-20140221379-A1 N-(HETERO)ARYL-PYRROLIDINE DERIVATIVES OF PYRAZOL-4-YL-PYRROLO[2,3-d]PYRIMIDINES AND PYRROL-3-YL-PYRROLO[2,3-d]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 ALDH1A1 2342/4885KDM4E 1282/4885HPGD 972/4885

“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.