SCHEMBL16767969

SCHEMBL16767969

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

nearest known ligand 0.83

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.83
BTK Q06187 1/20 0.53
MAP3K7 O43318 2/20 0.52
IRAK1 P51617 2/20 0.52
IRAK4 Q9NWZ3 2/20 0.52
MEN1 O00255 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
KCNK3 O14649 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
EPHB4 P54760 1/20 0.46
TEC P42680 1/20 0.46
TXK P42681 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL16755387 1.00 EGFR (0.83) EGFRBTKMAP3K7IRAK1IRAK4
SCHEMBL16755416 0.91 EGFR (1.00) EGFRBTKMAP3K7IRAK1IRAK4
SCHEMBL16755410 0.83 EGFR (0.86) EGFRBTKMAP3K7IRAK1IRAK4
SCHEMBL16755448 0.81 EGFR (0.82) EGFRRAB9AKCNK3KCNK9TEC
SCHEMBL16767965 0.81 EGFR (0.81) EGFRBTKMAP3K7IRAK1IRAK4
SCHEMBL16755417 0.80 EGFR (0.80) EGFRBTKKCNK3KCNK9TEC
SCHEMBL16755398 0.80 EGFR (0.79) EGFRBTKMAP3K7IRAK1IRAK4
SCHEMBL20985290 0.79 EGFR (0.67) EGFRBTKMAP3K7IRAK1IRAK4
SCHEMBL16755419 0.79 EGFR (1.00) EGFRBTKMAP3K7IRAK1IRAK4
SCHEMBL16755403 0.79 EGFR (0.78) EGFRBTKMAP3K7IRAK1IRAK4

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 2 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 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 EGFR 1/4885BTK 77/4885MAP3K7 183/4885

“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.