SCHEMBL14670664

SCHEMBL14670664

OC[C@@H](Nc1nc(Cl)ncc1Cl)c1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.43
▸ TDO2 P48775 2/20 0.43
▸ EGFR P00533 6/20 0.39
▸ USP1 O94782 1/20 0.39
▸ WDR48 Q8TAF3 1/20 0.39
▸ NTRK1 P04629 4/20 0.38
▸ AURKA O14965 2/20 0.37
▸ RPS6KB1 P23443 2/20 0.37
▸ CCNC P24863 1/20 0.36
▸ CDK8 P49336 1/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ CYP2D6 P10635 3/20 0.36
▸ SLC6A2 P23975 3/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ SLC6A3 Q01959 3/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL14670393 1.00 IDO1 (0.43) IDO1TDO2EGFRUSP1WDR48
SCHEMBL14670671 0.88 USP1 (0.51) IDO1TDO2EGFRUSP1WDR48
SCHEMBL14670579 0.88 IDO1 (0.42) IDO1TDO2EGFRUSP1WDR48
SCHEMBL14670408 0.85 NTRK1 (0.44) USP1WDR48NTRK1AURKARPS6KB1
SCHEMBL14670525 0.85 NTRK1 (0.44) USP1WDR48NTRK1AURKARPS6KB1
SCHEMBL14670573 0.84 EGFR (0.46) EGFRNTRK1AURKARPS6KB1CCNC
SCHEMBL14662047 0.84 EGFR (0.46) EGFRNTRK1AURKARPS6KB1CCNC
SCHEMBL14662045 0.84 EGFR (0.46) EGFRNTRK1AURKARPS6KB1CCNC
SCHEMBL14670402 0.83 MAPK1 (0.44) EGFRUSP1WDR48AURKARPS6KB1
SCHEMBL14670672 0.82 NTRK1 (0.41) IDO1TDO2NTRK1MAPK1

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 IDO1 37/4885TDO2 438/4885EGFR 1927/4885

“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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