SCHEMBL14670525

SCHEMBL14670525

OCC(Nc1nc(Cl)ncc1Cl)c1cccc(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 5/20 0.44
▸ CCNT1 O60563 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ CDK7 P50613 1/20 0.41
▸ CDK9 P50750 1/20 0.41
▸ RPS6KB1 P23443 6/20 0.39
▸ AURKA O14965 2/20 0.39
▸ ROCK1 Q13464 3/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ USP1 O94782 1/20 0.39
▸ WDR48 Q8TAF3 1/20 0.39
▸ AKT1 P31749 3/20 0.38
▸ AURKB Q96GD4 3/20 0.38
▸ INCENP Q9NQS7 3/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CTSA P10619 1/20 0.38
▸ MAP4K1 Q92918 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ MAPK10 P53779 1/20 0.37
▸ TNF P01375 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
SCHEMBL14670408 1.00 NTRK1 (0.44) NTRK1CCNT1CDK2CDK7CDK9
SCHEMBL14670400 0.87 NTRK1 (0.45) NTRK1CCNT1CDK9RPS6KB1ROCK2
SCHEMBL14670673 0.87 NTRK1 (0.45) NTRK1CCNT1CDK9RPS6KB1ROCK2
SCHEMBL14670393 0.85 IDO1 (0.43) NTRK1RPS6KB1AURKAUSP1WDR48
SCHEMBL14670664 0.85 IDO1 (0.43) NTRK1RPS6KB1AURKAUSP1WDR48
SCHEMBL4619629 0.85 NTRK1 (0.58) NTRK1CCNT1CDK2CDK9MAP4K1
SCHEMBL14670569 0.85 NTRK1 (0.58) NTRK1CCNT1CDK2CDK9MAP4K1
SCHEMBL14670573 0.84 EGFR (0.46) NTRK1RPS6KB1AURKA
SCHEMBL14662047 0.84 EGFR (0.46) NTRK1RPS6KB1AURKA
SCHEMBL14662045 0.84 EGFR (0.46) NTRK1RPS6KB1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors CELLZOME LIMITED (GB) 2014-06-26 — — US disclosed
US-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors CELLZOME LIMITED (GB) 2014-06-26 — — US disclosed
WO-2013014162-A1 HETEROCYCLYL PYRIMIDINE ANALOGUES AS JAK INHIBITORS CELLZOME LIMITED (GB) 2013-01-31 — — 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-20140179664-A1 Heterocyclyl Pyrimidine Analogues As JAK Inhibitors JAK1, JAK3, JAK2 NTRK1 4690/4885CCNT1 224/4885CDK2 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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