SCHEMBL3501102

SCHEMBL3501102

NC(=O)c1nc2[nH]nc(-c3ccccc3)c2s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.43
RAB9A P51151 2/20 0.42
CDC7 O00311 1/20 0.41
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
DBF4 Q9UBU7 1/20 0.41
ALDH1A1 P00352 7/20 0.40
GAA P10253 3/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 5/20 0.38
IKBKB O14920 3/20 0.38
NTRK1 P04629 1/20 0.38
MAPT P10636 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
ADORA2B P29275 1/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GFER P55789 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL3501887 0.87 PDPK1 (0.38) CCNE1CDK2ALDH1A1POLB
SCHEMBL3501617 0.81 GRM2 (0.38) RAB9ACCNE1CDK2ALDH1A1MAPT
SCHEMBL3498258 0.81 LRRK2 (0.40) RAB9ACDC7ALDH1A1GAAKDM4E
SCHEMBL3499091 0.77 ALDH1A1 (0.50) CYP1A2RAB9AALDH1A1GAAPOLB
SCHEMBL13256166 0.76 ALDH1A1 (0.53) CYP1A2RAB9ACCNE1CDK2ALDH1A1
SCHEMBL5577976 0.74 CYP1A2 (0.36) CYP1A2RAB9ACDK2ALDH1A1POLB
SCHEMBL4752790 0.73 ILK (0.32)
SCHEMBL5578040 0.72 DYRK1A (0.32)
SCHEMBL12127937 0.72 ALDH1A1 (0.56) CYP1A2RAB9ACDC7CCNE1CDK2
SCHEMBL13256180 0.72 XIAP (0.51) CYP1A2RAB9AALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-7473783-B2 Bicyclic pyrazolo protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-01-06 US disclosed
EP-1713814-A1 BICYCLIC PYRAZOLO-FUSED COMPOUNDS AS PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2006-10-25 EP disclosed
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators STRUCTURAL GENOMIX (US) 2005-08-11 US disclosed
WO-2005068473-A1 BICYCLIC PYRAZOLO-FUSED COMPOUNDS AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2005-07-28 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 (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-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS MAP3K20, MAP4K2, MAP4K3 CYP1A2 4056/4885RAB9A 1601/4885CDC7 316/4885
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators MAP3K20, MAP4K2, MAP4K3 CYP1A2 4056/4885RAB9A 1601/4885CDC7 316/4885

“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.