SCHEMBL19103264

SCHEMBL19103264

Cc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(C(=O)OC(C)C)c(-c2c[nH]c3ccccc23)n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 13/20 0.53
CDK7 P50613 5/20 0.43
CCNH P51946 5/20 0.43
CCNK O75909 1/20 0.40
MNAT1 P51948 1/20 0.40
CDK12 Q9NYV4 1/20 0.40
JAK2 O60674 2/20 0.39
JAK1 P23458 2/20 0.39
ERBB2 P04626 1/20 0.37
ERBB3 P21860 1/20 0.37
ERBB4 Q15303 1/20 0.37

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
SCHEMBL19103316 0.90 EGFR (0.43) EGFRJAK2JAK1ERBB2ERBB3
SCHEMBL19103258 0.86 EGFR (0.52) EGFRCDK7CCNHERBB2ERBB3
SCHEMBL19103263 0.85 EGFR (0.46) EGFRJAK2ERBB2ERBB3ERBB4
SCHEMBL19103269 0.84 EGFR (0.57) EGFRERBB2ERBB3ERBB4
SCHEMBL17384789 0.84 EGFR (0.52) EGFRCDK7CCNHCCNKMNAT1
SCHEMBL19103262 0.83 EGFR (0.44) EGFRERBB2ERBB3ERBB4
SCHEMBL19103274 0.83 EGFR (0.53) EGFRERBB2ERBB3ERBB4
SCHEMBL19103272 0.82 EGFR (0.51) EGFRJAK2JAK1ERBB2ERBB3
SCHEMBL22510191 0.82 EGFR (0.49) EGFR
SCHEMBL19103286 0.82 IGF1R (0.43)

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 2/4885CDK7 263/4885CCNH 1237/4885
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 EGFR 2/4885CDK7 263/4885CCNH 1237/4885

“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.