SCHEMBL14670579

SCHEMBL14670579

OC[C@@H](Nc1nc(Cl)ncc1F)c1cccc(Br)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.42
▸ TDO2 P48775 2/20 0.42
▸ KDR P35968 1/20 0.40
▸ MAPK1 P28482 5/20 0.39
▸ EGFR P00533 5/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ USP1 O94782 1/20 0.37
▸ WDR48 Q8TAF3 1/20 0.37
▸ AURKA O14965 2/20 0.36
▸ RPS6KB1 P23443 2/20 0.36
▸ KMT2A Q03164 1/20 0.34
▸ NTRK1 P04629 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
SCHEMBL14670664 0.88 IDO1 (0.43) IDO1TDO2MAPK1EGFRUSP1
SCHEMBL14670393 0.88 IDO1 (0.43) IDO1TDO2MAPK1EGFRUSP1
SCHEMBL14670671 0.86 USP1 (0.51) IDO1TDO2MAPK1EGFRUSP1
SCHEMBL14670665 0.85 EGFR (0.45) EGFRALDH1A1L3MBTL1AURKARPS6KB1
SCHEMBL14670658 0.85 EGFR (0.45) EGFRALDH1A1L3MBTL1AURKARPS6KB1
SCHEMBL14670670 0.85 ALDH1A1 (0.39) MAPK1ALDH1A1L3MBTL1
SCHEMBL14670588 0.80 ALDH1A1 (0.43) MAPK1EGFRALDH1A1L3MBTL1RPS6KB1
SCHEMBL14670525 0.79 NTRK1 (0.44) MAPK1USP1WDR48AURKARPS6KB1
SCHEMBL14670408 0.79 NTRK1 (0.44) MAPK1USP1WDR48AURKARPS6KB1
SCHEMBL14670672 0.75 NTRK1 (0.41) IDO1TDO2MAPK1NTRK1

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 438/4885KDR 3963/4885

“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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