SCHEMBL3501887

SCHEMBL3501887

NC(=O)c1nc2[nH]nc(-c3ccc(O)cc3)c2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.38
HSP90AB1 P08238 1/20 0.38
FGFR1 P11362 2/20 0.37
FGFR2 P21802 2/20 0.37
FGFR3 P22607 1/20 0.37
BRAF P15056 2/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
MYC P01106 1/20 0.35
WDR5 P61964 1/20 0.35
GSK3A P49840 4/20 0.35
GSK3B P49841 4/20 0.35
CDK2 P24941 3/20 0.35
MAP2K4 P45985 4/20 0.35
MAPK1 P28482 3/20 0.35
MAPKAPK2 P49137 3/20 0.35
MAPK6 Q16659 3/20 0.35
MAPKAPK3 Q16644 2/20 0.35

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
SCHEMBL3501102 0.87 CYP1A2 (0.43) CDK2ALDH1A1POLBCCNE1
SCHEMBL3499093 0.81 MYC (0.49) PDPK1HSP90AB1FGFR1FGFR2FGFR3
SCHEMBL3501617 0.75 GRM2 (0.38) MYCWDR5CDK2DYRK1BALDH1A1
SCHEMBL3498258 0.75 LRRK2 (0.40) ADORA2AADORA1PARP1ALDH1A1
SCHEMBL13256287 0.74 GSK3B (0.55) GSK3AGSK3BCDK2ALDH1A1
SCHEMBL4752790 0.72 ILK (0.32)
SCHEMBL5578040 0.71 DYRK1A (0.32) DYRK1B
SCHEMBL3500615 0.68 ALDH1A1 (0.31) ALDH1A1
SCHEMBL3499091 0.67 ALDH1A1 (0.50) MAPK1ADORA2AALDH1A1POLBHTT
SCHEMBL5577976 0.65 CYP1A2 (0.36) GSK3AGSK3BCDK2ADORA2AADORA1

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 PDPK1 52/4885HSP90AB1 1379/4885FGFR1 903/4885
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators MAP3K20, MAP4K2, MAP4K3 PDPK1 52/4885HSP90AB1 1379/4885FGFR1 903/4885

“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.