SCHEMBL7124533

SCHEMBL7124533

C#CC(=O)Nc1ccc2ncnc(N3CCc4ccc(Cl)cc43)c2c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.58
ERBB2 P04626 4/20 0.44
ERBB4 Q15303 4/20 0.44
AKT1 P31749 2/20 0.40
CSF1R P07333 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTT P42858 1/20 0.37
NOTUM Q6P988 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
AXL P30530 1/20 0.36

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
SCHEMBL7125409 0.93 EGFR (0.50) EGFRERBB2ERBB4CSF1RHTR2A
SCHEMBL7120026 0.86 EGFR (0.45) EGFRERBB2ERBB4CSF1RHTR2A
SCHEMBL7120498 0.85 EGFR (0.43) EGFRERBB2ERBB4CSF1RHTR2A
SCHEMBL7124610 0.85 EGFR (0.79) EGFRERBB2ERBB4
SCHEMBL7117688 0.84 EGFR (0.65) EGFRERBB2AKT1
SCHEMBL7122249 0.84 EGFR (0.64) EGFRAKT1HTR2AHTR2C
SCHEMBL7122253 0.84 EGFR (0.64) EGFRAKT1HTR2AHTR2C
SCHEMBL7127832 0.83 EGFR (0.63) EGFR
SCHEMBL7127836 0.83 EGFR (0.63) EGFR
SCHEMBL7127852 0.83 EGFR (0.63) EGFRERBB2AKT1

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 26/4885ERBB2 1/4885ERBB4 13/4885

“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.