SCHEMBL14670409

SCHEMBL14670409

OC[C@@H](Nc1nc(Cl)ncc1Cl)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.43
▸ P2RX3 P56373 1/20 0.41
▸ NTRK1 P04629 2/20 0.41
▸ ADORA2B P29275 1/20 0.39
▸ CCNC P24863 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ CYP19A1 P11511 1/20 0.36
▸ CFTR P13569 1/20 0.35
▸ GOPC Q9HD26 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ ERBB2 P04626 1/20 0.35
▸ INSR P06213 1/20 0.35
▸ RET P07949 1/20 0.35
▸ MET P08581 1/20 0.35
▸ ROS1 P08922 1/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ FGFR1 P11362 1/20 0.35
▸ SRC P12931 1/20 0.35
▸ FGFR2 P21802 1/20 0.35
▸ FGFR4 P22455 1/20 0.35

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
SCHEMBL14662045 0.87 EGFR (0.46) EGFRNTRK1CCNCCDK8SMN1; SMN2
SCHEMBL14670573 0.87 EGFR (0.46) EGFRNTRK1CCNCCDK8SMN1; SMN2
SCHEMBL14662047 0.87 EGFR (0.46) EGFRNTRK1CCNCCDK8SMN1; SMN2
SCHEMBL14670393 0.80 IDO1 (0.43) EGFRNTRK1CCNCCDK8CYP3A4
SCHEMBL14670408 0.80 NTRK1 (0.44) NTRK1CYP2C9
SCHEMBL14670664 0.80 IDO1 (0.43) EGFRNTRK1CCNCCDK8CYP3A4
SCHEMBL14670525 0.80 NTRK1 (0.44) NTRK1CYP2C9
SCHEMBL4619629 0.79 NTRK1 (0.58) EGFRNTRK1CCNCCDK8SMN1; SMN2
SCHEMBL14670569 0.79 NTRK1 (0.58) EGFRNTRK1CCNCCDK8SMN1; SMN2
SCHEMBL14662103 0.79 CDK19 (0.58) KDRALK

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 EGFR 1927/4885P2RX3 420/4885NTRK1 4690/4885

“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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