SCHEMBL6771473

SCHEMBL6771473

CSc1ncc(C(N)=O)c(Nc2ccc3[nH]ncc3c2)n1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 12/20 0.66
▸ JAK3 P52333 1/20 0.52
▸ IRAK4 Q9NWZ3 1/20 0.52
▸ MKNK1 Q9BUB5 3/20 0.50
▸ ROCK2 O75116 2/20 0.48
▸ ROCK1 Q13464 2/20 0.48
▸ EGFR P00533 1/20 0.45

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
SCHEMBL761282 0.91 SYK (0.66) SYKJAK3IRAK4ROCK2ROCK1
SCHEMBL6639550 0.90 SYK (0.53) SYKJAK3IRAK4MKNK1ROCK2
SCHEMBL6769085 0.88 SYK (0.52) SYKIRAK4MKNK1ROCK2ROCK1
SCHEMBL6769846 0.87 MKNK1 (0.55) SYKMKNK1ROCK2ROCK1EGFR
SCHEMBL6611762 0.85 SYK (0.49) SYKMKNK1ROCK2ROCK1EGFR
SCHEMBL6644053 0.85 SYK (0.67) SYKJAK3EGFR
SCHEMBL6770452 0.84 RPS6KB1 (0.51) SYKJAK3IRAK4MKNK1ROCK2
SCHEMBL10241915 0.83 SYK (0.73) SYKJAK3IRAK4EGFR
SCHEMBL10242654 0.83 SYK (0.73) SYKJAK3IRAK4EGFR
SCHEMBL6770721 0.82 PDGFRB (0.53) SYKJAK3MKNK1ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140323418-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-30 — — US disclosed
US-20140323418-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2014-10-30 — — US disclosed
WO-2013078468-A1 SELECTIVE KINASE INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2013-05-30 — — WO disclosed
US-6762189-B1 HEPATITIS B VIRUS AND HUMAN IMMUNODEFICIENCY VIRUS ANTIPROLIFERATION AGENTS; REDUCED CHANCE OF TOXICITY, SIDE EFFECTS, AND DEVELOPMENT OF RESISTANT VIRAL STRAINS DONG WHA PHARM. IND. CO., LTD. (KR) 2004-07-13 — — 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-20140323418-A1 SELECTIVE KINASE INHIBITORS SYK, BTK, LCK SYK 1/4885JAK3 121/4885IRAK4 43/4885

“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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