SCHEMBL14670672

SCHEMBL14670672

OC[C@@H](Nc1nc(Cl)ncc1Cl)c1cc(F)cc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 4/20 0.41
▸ MAPK1 P28482 15/20 0.36
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 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
SCHEMBL14670673 0.91 NTRK1 (0.45) NTRK1MAPK1
SCHEMBL14670400 0.91 NTRK1 (0.45) NTRK1MAPK1
SCHEMBL14670670 0.91 ALDH1A1 (0.39) MAPK1
SCHEMBL14670664 0.82 IDO1 (0.43) NTRK1MAPK1IDO1TDO2
SCHEMBL14670393 0.82 IDO1 (0.43) NTRK1MAPK1IDO1TDO2
SCHEMBL14670408 0.82 NTRK1 (0.44) NTRK1MAPK1
SCHEMBL14670525 0.82 NTRK1 (0.44) NTRK1MAPK1
SCHEMBL14670588 0.81 ALDH1A1 (0.43) NTRK1MAPK1
SCHEMBL4619629 0.81 NTRK1 (0.58) NTRK1MAPK1
SCHEMBL14670569 0.81 NTRK1 (0.58) NTRK1MAPK1

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 4690/4885MAPK1 48/4885IDO1 37/4885

“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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