SCHEMBL16755437

SCHEMBL16755437

C=CC(=O)Nc1cccc(-n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3cc(CN4CCCC4)ccc32)c1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 4/20 0.76
IRAK1 P51617 4/20 0.76
IRAK4 Q9NWZ3 4/20 0.76
EGFR P00533 8/20 0.73
TEC P42680 4/20 0.56
TXK P42681 3/20 0.55
ITK Q08881 2/20 0.50

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
SCHEMBL16755420 0.94 EGFR (0.70) MAP3K7IRAK1IRAK4EGFRTEC
SCHEMBL16755398 0.89 EGFR (0.79) MAP3K7IRAK1IRAK4EGFRTEC
SCHEMBL16767965 0.89 EGFR (0.81) MAP3K7IRAK1IRAK4EGFRTEC
SCHEMBL1924466 0.87 MAP3K7 (1.00) MAP3K7IRAK1IRAK4EGFR
SCHEMBL16755403 0.87 EGFR (0.78) MAP3K7IRAK1IRAK4EGFRTEC
SCHEMBL1924565 0.86 MAP3K7 (0.86) MAP3K7IRAK1IRAK4EGFR
SCHEMBL29313976 0.86 MAP3K7 (0.85) MAP3K7IRAK1IRAK4EGFR
SCHEMBL1923717 0.86 MAP3K7 (0.88) MAP3K7IRAK1IRAK4EGFR
SCHEMBL16755401 0.85 EGFR (0.75) MAP3K7IRAK1IRAK4EGFRTEC
SCHEMBL16755455 0.85 EGFR (0.75) MAP3K7IRAK1IRAK4EGFRTEC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152083-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-06-04 US claimed
US-20150152083-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-06-04 US disclosed
US-20150152083-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-06-04 US disclosed
US-20150152083-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-06-04 US 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-20150152083-A1 Compounds and Compositions for Modulating EGFR Activity EGFR, ERBB2, ERBB3 MAP3K7 183/4885IRAK1 1352/4885IRAK4 1485/4885

“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.