SCHEMBL12828514

SCHEMBL12828514

COc1ccc(CNc2ccc(C#N)cc2N=O)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 7/20 0.49
▸ CYP3A4 P08684 7/20 0.49
▸ ALDH1A1 P00352 7/20 0.49
▸ CLK4 Q9HAZ1 5/20 0.49
▸ CYP2D6 P10635 5/20 0.49
▸ TSHR P16473 5/20 0.49
▸ CYP2C19 P33261 5/20 0.49
▸ USP2 O75604 5/20 0.49
▸ CYP2C9 P11712 5/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ APLNR P35414 1/20 0.47
▸ HSD17B10 Q99714 4/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KDM4C Q9H3R0 1/20 0.45
▸ ERBB2 P04626 1/20 0.43
▸ PRKACA P17612 1/20 0.43

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
SCHEMBL1265017 0.82 CYP3A4 (0.52) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL1266758 0.80 KAT2B (0.53) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL12828816 0.80 CYP1A2 (0.44) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL16177732 0.74 CYP1A2 (0.69) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL28595894 0.73 CYP1A2 (0.55) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL16177694 0.73 CYP1A2 (0.62) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL31091825 0.72 CYP1A2 (0.60) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL23598712 0.71 APLNR (0.51) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL29824145 0.71 APLNR (0.51) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6
SCHEMBL1266673 0.71 MAPT (0.56) CYP1A2CYP3A4ALDH1A1CLK4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915268-B2 And 8-substituted 2-(imidazolo[4,5-c]pyridinyl)purines; Janus kinase 3 inhibitors; autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-03-29 — — US disclosed
US-20080085898-A1 8-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-04-10 — — 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 (1 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-20080085898-A1 8-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, KIT, ADORA2A CYP1A2 1271/4885CYP3A4 1671/4885ALDH1A1 352/4885

“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.

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