SCHEMBL14670588

SCHEMBL14670588

OC[C@@H](Nc1nc(Cl)ncc1F)c1cc(F)cc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KMT2A Q03164 1/20 0.39
▸ NTRK1 P04629 4/20 0.38
▸ MAP4K1 Q92918 1/20 0.34
▸ XPO1 O14980 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ EGFR P00533 4/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ MAP2K1 Q02750 1/20 0.31

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
SCHEMBL14670670 0.91 ALDH1A1 (0.39) ALDH1A1L3MBTL1MAPK1
SCHEMBL14670400 0.89 NTRK1 (0.45) ALDH1A1L3MBTL1NTRK1MAP4K1XPO1
SCHEMBL14670673 0.89 NTRK1 (0.45) ALDH1A1L3MBTL1NTRK1MAP4K1XPO1
SCHEMBL14670594 0.87 USP1 (0.42) ALDH1A1L3MBTL1NTRK1MAP4K1XPO1
SCHEMBL14670658 0.84 EGFR (0.45) ALDH1A1L3MBTL1NTRK1RPS6KB1EGFR
SCHEMBL14670665 0.84 EGFR (0.45) ALDH1A1L3MBTL1NTRK1RPS6KB1EGFR
SCHEMBL14670672 0.81 NTRK1 (0.41) NTRK1MAPK1
SCHEMBL14670674 0.81 ALDH1A1 (0.40) ALDH1A1L3MBTL1KMT2ANTRK1MAP4K1
SCHEMBL14670579 0.80 IDO1 (0.42) ALDH1A1L3MBTL1KMT2ANTRK1MAPK1
SCHEMBL14670408 0.77 NTRK1 (0.44) NTRK1MAP4K1ROCK2MAPK1RPS6KB1

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 ALDH1A1 3464/4885L3MBTL1 3600/4885KMT2A 1379/4885

“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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