SCHEMBL1219940

SCHEMBL1219940

NC(=O)c1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1

nearest known ligand 0.78

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 11/20 0.78
EGFR P00533 9/20 0.74
ERBB2 P04626 9/20 0.74
LCK P06239 1/20 0.64
KDR P35968 1/20 0.64

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
SCHEMBL1220053 0.91 AAK1 (0.82) AAK1EGFRERBB2
SCHEMBL1220319 0.89 ERBB2 (0.75) AAK1EGFRERBB2LCKKDR
SCHEMBL20194168 0.88 EGFR (0.70) AAK1EGFRERBB2LCKKDR
SCHEMBL16646792 0.88 AAK1 (1.00) AAK1EGFRERBB2
SCHEMBL20194186 0.86 EGFR (0.72) AAK1EGFRERBB2
SCHEMBL20194160 0.85 EGFR (0.69) AAK1EGFRERBB2
SCHEMBL3558424 0.85 EGFR (0.77) AAK1EGFRERBB2LCKKDR
SCHEMBL1218844 0.85 EGFR (1.00) AAK1EGFRERBB2LCKKDR
SCHEMBL1219493 0.85 EGFR (1.00) AAK1EGFRERBB2LCKKDR
SCHEMBL1219044 0.85 EGFR (1.00) AAK1EGFRERBB2LCKKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2011-02-17 US disclosed
US-7846931-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-07 US disclosed
EP-1699797-B1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-09-23 EP disclosed
EP-2058314-A1 Pyrrolotriazine compounds as kinase inhibitors Bristol-Myers Squibb Company (US) 2009-05-13 EP disclosed
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US disclosed
US-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 US disclosed
US-7141571-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-28 US disclosed
US-20060264438-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-23 US disclosed
US-20060155125-A1 Synthetic process BRISTOL-MYERS SQUIBB COMPANY 2006-07-13 US disclosed
US-20050182058-A1 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-08-18 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 (5 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-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 AAK1 123/4885EGFR 4/4885ERBB2 1/4885
US-20060155125-A1 Synthetic process ERBB2, ERBB4, EGFR AAK1 381/4885EGFR 3/4885ERBB2 1/4885
US-20060264438-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 AAK1 123/4885EGFR 4/4885ERBB2 1/4885
US-20050182058-A1 Pyrrolotriazine compounds as kinase inhibitors ERBB2, ERBB4, ERBB3 AAK1 123/4885EGFR 4/4885ERBB2 1/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 AAK1 123/4885EGFR 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.