SCHEMBL19103288

SCHEMBL19103288

Cc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(C(=O)OC(C)C)c(-n2cc(C)c3ccccc32)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 14/20 0.52
ERBB4 Q15303 2/20 0.35
ERBB2 P04626 1/20 0.35
ERBB3 P21860 1/20 0.35
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
PLK1 P53350 2/20 0.33
CDC7 O00311 1/20 0.33
PLK4 O00444 1/20 0.33
CHEK1 O14757 1/20 0.33
DCLK1 O15075 1/20 0.33
CHUK O15111 1/20 0.33
PDPK1 O15530 1/20 0.33
DAPK3 O43293 1/20 0.33
DYRK3 O43781 1/20 0.33
JAK2 O60674 1/20 0.33
ROCK2 O75116 1/20 0.33
PRKD3 O94806 1/20 0.33

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
SCHEMBL19103311 0.89 EGFR (0.46) EGFRERBB4ERBB2ERBB3MKNK1
SCHEMBL19103333 0.86 EGFR (0.66) EGFRERBB4ERBB2ERBB3
SCHEMBL19103269 0.84 EGFR (0.57) EGFRERBB4ERBB2ERBB3
SCHEMBL19103262 0.83 EGFR (0.44) EGFRERBB4ERBB2ERBB3CRHBP
SCHEMBL19103274 0.82 EGFR (0.53) EGFRERBB4ERBB2ERBB3
SCHEMBL19103266 0.80 EGFR (0.44) EGFRERBB4MKNK1MKNK2PLK1
SCHEMBL19103261 0.80 EGFR (0.54) EGFRERBB4ERBB2ERBB3PLK1
SCHEMBL19103272 0.79 EGFR (0.51) EGFRERBB4ERBB2ERBB3JAK2
SCHEMBL19103263 0.78 EGFR (0.46) EGFRERBB4ERBB2ERBB3CRHBP
SCHEMBL19103264 0.78 EGFR (0.53) EGFRERBB4ERBB2ERBB3JAK2

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-9796712-B2 Heteroaryl compounds for kinase inhibition ARIAD PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-07 US disclosed
US-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2017-07-13 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 (2 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-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 EGFR 2/4885ERBB4 4/4885ERBB2 1/4885
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 EGFR 2/4885ERBB4 4/4885ERBB2 1/4885

“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.