SCHEMBL3553531

SCHEMBL3553531

Cc1ccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)cc1Cl

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.81
ERBB2 P04626 18/20 0.81
LCK P06239 1/20 0.81
KDR P35968 1/20 0.81
AAK1 Q2M2I8 2/20 0.66

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
SCHEMBL1220086 0.94 EGFR (0.77) EGFRERBB2LCKKDRAAK1
SCHEMBL1218777 0.92 ERBB2 (0.80) EGFRERBB2LCKKDRAAK1
SCHEMBL1218828 0.92 EGFR (0.84) EGFRERBB2LCKKDRAAK1
SCHEMBL1219457 0.90 EGFR (1.00) EGFRERBB2LCKKDRAAK1
SCHEMBL1219772 0.90 ERBB2 (0.77) EGFRERBB2LCKKDRAAK1
SCHEMBL1220849 0.89 EGFR (1.00) EGFRERBB2LCKKDRAAK1
SCHEMBL1220008 0.88 ERBB2 (0.79) EGFRERBB2LCKKDRAAK1
SCHEMBL1220151 0.88 ERBB2 (0.76) EGFRERBB2LCKKDRAAK1
SCHEMBL1219542 0.88 ERBB2 (0.80) EGFRERBB2LCKKDRAAK1
SCHEMBL1220106 0.88 EGFR (0.71) EGFRERBB2LCKKDRAAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2058314-A1 Pyrrolotriazine compounds as kinase inhibitors Bristol-Myers Squibb Company (US) 2009-05-13 EP claimed
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-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 (3 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-20060264438-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 EGFR 4/4885ERBB2 1/4885LCK 21/4885
US-20050182058-A1 Pyrrolotriazine compounds as kinase inhibitors ERBB2, ERBB4, ERBB3 EGFR 4/4885ERBB2 1/4885LCK 21/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 EGFR 4/4885ERBB2 1/4885LCK 21/4885

“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.