SCHEMBL19103286

SCHEMBL19103286

Cc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(C(=O)OC(C)C)c(-c2cnc3ccccn23)n1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 20/20 0.43
CDK2 P24941 9/20 0.43
KCNH2 Q12809 11/20 0.41
INSR P06213 1/20 0.39

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
SCHEMBL19103330 0.87 EGFR (0.44) IGF1RCDK2KCNH2
SCHEMBL19103264 0.82 EGFR (0.53)
SCHEMBL19103262 0.81 EGFR (0.44) CDK2
SCHEMBL19103263 0.81 EGFR (0.46) IGF1RCDK2INSR
SCHEMBL19103269 0.80 EGFR (0.57)
SCHEMBL19103311 0.79 EGFR (0.46) IGF1RCDK2INSR
SCHEMBL19103316 0.79 EGFR (0.43) KCNH2
SCHEMBL19103274 0.78 EGFR (0.53)
SCHEMBL19103272 0.78 EGFR (0.51)
SCHEMBL19103424 0.77 EGFR (0.46) IGF1RCDK2KCNH2

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 IGF1R 404/4885CDK2 53/4885KCNH2 4416/4885
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 IGF1R 404/4885CDK2 53/4885KCNH2 4416/4885

“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.