SCHEMBL1474749

SCHEMBL1474749

COc1ccc(CNc2ccc(C#N)cc2Nc2ncc([N+](=O)[O-])c(NC3CCOCC3)n2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 4/20 0.43
▸ MERTK Q12866 2/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ TYRO3 Q06418 1/20 0.41
▸ GAS6 Q14393 1/20 0.41
▸ LRRK2 Q5S007 3/20 0.40
▸ CYP1A2 P05177 4/20 0.39
▸ CYP3A4 P08684 4/20 0.39
▸ CYP2D6 P10635 4/20 0.39
▸ TSHR P16473 4/20 0.39
▸ CYP2C19 P33261 4/20 0.39
▸ CLK4 Q9HAZ1 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ PLK1 P53350 4/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ USP2 O75604 3/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL12828976 0.88 MERTK (0.41) MERTKFLT3TYRO3GAS6LRRK2
SCHEMBL1475204 0.86 PRKCQ (0.39) PRKCQLRRK2CYP1A2CYP3A4CYP2D6
SCHEMBL1475201 0.86 PRKCQ (0.39) PRKCQLRRK2CYP1A2CYP3A4CYP2D6
SCHEMBL1265307 0.85 PRKCQ (0.39) PRKCQLRRK2CYP1A2CYP3A4CYP2D6
SCHEMBL1265304 0.85 PRKCQ (0.39) PRKCQLRRK2CYP1A2CYP3A4CYP2D6
SCHEMBL1266682 0.84 PRKCQ (0.38) PRKCQLRRK2CYP1A2CYP3A4CYP2D6
SCHEMBL1266680 0.84 PRKCQ (0.38) PRKCQLRRK2CYP1A2CYP3A4CYP2D6
SCHEMBL1265128 0.82 CYP1A2 (0.43) PRKCQLRRK2CYP1A2CYP3A4CYP2D6
SCHEMBL1266758 0.75 KAT2B (0.53) CYP1A2CYP3A4CYP2D6TSHRCYP2C19
SCHEMBL1266673 0.75 MAPT (0.56) LRRK2CYP1A2CYP3A4CYP2D6TSHR

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 6 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-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
US-20080085898-A1 8-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-04-10 — — US disclosed
WO-2008043019-A1 8-SUBSTITUTED 2-(BENZIMIDAZOLYL) PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC (US) 2008-04-10 — — WO disclosed
WO-2008043019-A1 8-SUBSTITUTED 2-(BENZIMIDAZOLYL) PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC (US) 2008-04-10 — — 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 (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 PRKCQ 3243/4885MERTK 737/4885FLT3 1562/4885

“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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