SCHEMBL17385151

SCHEMBL17385151

COc1cc(OCCN2CCOCC2)c(N)cc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.66
IGF1R P08069 9/20 0.57
CDK2 P24941 2/20 0.55
KCNH2 Q12809 6/20 0.54
INSR P06213 2/20 0.51

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
SCHEMBL17384836 0.94 EGFR (0.74) EGFRIGF1RCDK2KCNH2INSR
SCHEMBL17384832 0.88 EGFR (0.64) EGFRIGF1RCDK2KCNH2INSR
SCHEMBL29974412 0.88 EGFR (0.76) EGFRIGF1RCDK2KCNH2INSR
SCHEMBL17384864 0.88 EGFR (0.76) EGFRIGF1RCDK2KCNH2INSR
SCHEMBL17385213 0.86 EGFR (0.89) EGFRIGF1RKCNH2INSR
SCHEMBL17385154 0.85 EGFR (0.73) EGFRIGF1RCDK2KCNH2INSR
SCHEMBL17553523 0.83 EGFR (0.50) EGFRIGF1RKCNH2
SCHEMBL22994853 0.82 EGFR (0.62) EGFRIGF1RCDK2KCNH2INSR
SCHEMBL28134349 0.82 EGFR (0.59) EGFRIGF1RCDK2KCNH2INSR
SCHEMBL28134348 0.82 EGFR (0.59) EGFRIGF1RCDK2KCNH2INSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778584-A1 PRODUCTION PROCESS OF 2-CHLORO-4-HETEROARYL-PYRIMIDINE DERIVATIVES ARIAD Pharmaceuticals, Inc. (US) 2021-02-17 EP disclosed
EP-3409669-B1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMA INC (US) 2020-10-07 EP disclosed
US-20190218212-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2019-07-18 US disclosed
US-10227342-B2 Heteroaryl compounds for kinase inhibition ARIAD PHARMACEUTICALS, INC. (US) 2019-03-12 US disclosed
US-9796712-B2 Heteroaryl compounds for kinase inhibition ARIAD PHARMACEUTICALS, INC. (US) 2017-10-24 US disclosed
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-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
US-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. 2017-07-13 US disclosed
WO-2015195228-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ARIAD PHARMACEUTICALS, INC. (US) 2015-12-23 WO 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 (4 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-20190218212-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 EGFR 2/4885IGF1R 404/4885CDK2 53/4885
US-20170197962-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 EGFR 2/4885IGF1R 404/4885CDK2 53/4885
US-10227342-B2 Heteroaryl compounds for kinase inhibition ERBB2, EGFR, ERBB3 EGFR 2/4885IGF1R 404/4885CDK2 53/4885
US-20170253594-A1 HETEROARYL COMPOUNDS FOR KINASE INHIBITION ERBB2, EGFR, ERBB3 EGFR 2/4885IGF1R 404/4885CDK2 53/4885

“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.