SCHEMBL5429257

SCHEMBL5429257

CSc1nccc(-c2c(CNC(C)C)nn3ccccc23)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 2/20 0.48
▸ TGFBR2 P37173 1/20 0.48
▸ PDE4B Q07343 2/20 0.45
▸ MAPK9 P45984 1/20 0.45
▸ MAPK10 P53779 1/20 0.45
▸ PDE10A Q9Y233 1/20 0.45
▸ DYRK1A Q13627 3/20 0.35
▸ CCNA2 P20248 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ CDK5R1 Q15078 1/20 0.35
▸ DYRK1B Q9Y463 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ MAPK13 O15264 1/20 0.34
▸ MAPK12 P53778 1/20 0.34
▸ MAPK11 Q15759 1/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ CSNK1E P49674 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
SCHEMBL5441996 0.86 TGFBR1 (0.47) TGFBR1TGFBR2PDE4BMAPK9MAPK10
SCHEMBL5439220 0.79 MAPK9 (0.56) PDE4BMAPK9MAPK10PDE10ACCNA2
SCHEMBL5210526 0.78 TGFBR1 (0.50) TGFBR1TGFBR2PDE4BMAPK9MAPK10
SCHEMBL14593090 0.75 MAPK14 (0.49) TGFBR1TGFBR2PDE4BMAPK9MAPK10
SCHEMBL5428733 0.74 TGFBR1 (0.43) TGFBR1TGFBR2PDE4BMAPK9MAPK10
SCHEMBL5424575 0.74 TGFBR1 (0.47) TGFBR1TGFBR2PDE4BMAPK9MAPK10
SCHEMBL5433486 0.73 PDE4B (0.65) TGFBR1TGFBR2PDE4BMAPK9MAPK10
SCHEMBL5422720 0.73 TGFBR1 (0.44) TGFBR1TGFBR2PDE4BMAPK9MAPK10
SCHEMBL3272770 0.73 TGFBR1 (0.45) TGFBR1TGFBR2PDE4BMAPK9MAPK10
SCHEMBL5799690 0.72 MAPK14 (0.57) TGFBR1TGFBR2MAPK9CCNA2CDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7153863-B2 Therapeutic compounds based on pyrazolopyridline derivatives SMITHKLINE BEECHAM CORPORATION (US) 2006-12-26 — — US claimed
US-20050282842-A1 Therapeutic compounds based on pyrazolopyridine derivatives SMITHKLINE BEECHAM CORPORATION 2005-12-22 — — US claimed
US-20070112014-A1 Therapeutic Compounds Based on Pyrazolopyridine GUDMUNDSSON KRISTJAN S 2007-05-17 — — US disclosed
US-20070112014-A1 Therapeutic Compounds Based on Pyrazolopyridine GUDMUNDSSON KRISTJAN S 2007-05-17 — — US disclosed
US-20070112014-A1 Therapeutic Compounds Based on Pyrazolopyridine GUDMUNDSSON KRISTJAN S 2007-05-17 — — US disclosed
US-7153863-B2 Therapeutic compounds based on pyrazolopyridline derivatives SMITHKLINE BEECHAM CORPORATION (US) 2006-12-26 — — US disclosed
US-20050282842-A1 Therapeutic compounds based on pyrazolopyridine derivatives SMITHKLINE BEECHAM CORPORATION 2005-12-22 — — 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-20050282842-A1 Therapeutic compounds based on pyrazolopyridine derivatives CYP3A5, QDPR, DPYD TGFBR1 4211/4885TGFBR2 4393/4885PDE4B 77/4885
US-20070112014-A1 Therapeutic Compounds Based on Pyrazolopyridine CYP3A5, QDPR, DPYD TGFBR1 4245/4885TGFBR2 4484/4885PDE4B 64/4885

“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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