SCHEMBL7125409

SCHEMBL7125409

C#CC(=O)Nc1ccc2c(N3CCc4ccc(Cl)cc43)ncnc2c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.50
CSF1R P07333 1/20 0.40
PDGFRB P09619 4/20 0.38
PDGFRA P16234 1/20 0.38
ERBB2 P04626 1/20 0.38
ERBB4 Q15303 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
NOTUM Q6P988 1/20 0.36
MALT1 Q9UDY8 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
SCHEMBL7124533 0.93 EGFR (0.58) EGFRCSF1RPDGFRBPDGFRAERBB2
SCHEMBL7120498 0.86 EGFR (0.43) EGFRCSF1RPDGFRBPDGFRAERBB2
SCHEMBL7126863 0.85 EGFR (0.69) EGFRCSF1RERBB2
SCHEMBL7120026 0.85 EGFR (0.45) EGFRCSF1RERBB2ERBB4HTR2A
SCHEMBL8649559 0.84 EGFR (0.47) EGFRCSF1RPDGFRBPDGFRAHTR2A
SCHEMBL8650186 0.81 CYP1A2 (0.52) EGFRCSF1RPDGFRBHTR2AHTR2C
SCHEMBL7119066 0.81 EGFR (0.43) EGFRCSF1RPDGFRBPDGFRAERBB2
Hydrochloric Acid SCHEMBL8648557 0.81 EGFR (0.47) EGFRCSF1RPDGFRBPDGFRAERBB2
SCHEMBL8650937 0.81 EGFR (0.44) EGFRCSF1RPDGFRBPDGFRAHTR2A
SCHEMBL7123114 0.80 EGFR (0.62) EGFRERBB2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030087881-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-05-08 US claimed
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 US claimed
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO claimed
US-20030087881-A1 Irreversible inhibitors of tyrosine kinases BRIDGES ALEXANDER JAMES (US) 2003-05-08 US disclosed
US-6153617-A Irreversible bicyclic inhibitors of tyrosine kinases WARNER-LAMBERT COMPANY (US) 2000-11-28 US disclosed
WO-1999006396-A1 IRREVERSIBLE BICYCLIC INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 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-20030087881-A1 Irreversible inhibitors of tyrosine kinases ERBB2, ERBB3, LCK EGFR 26/4885CSF1R 890/4885PDGFRB 182/4885

“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.