SCHEMBL1218596

SCHEMBL1218596

C#Cc1cccc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 1.00
ERBB2 P04626 9/20 1.00
AAK1 Q2M2I8 11/20 0.72
LCK P06239 1/20 0.65
KDR P35968 1/20 0.65

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
SCHEMBL1219572 0.91 EGFR (0.83) EGFRERBB2AAK1LCKKDR
SCHEMBL1219929 0.88 EGFR (0.79) EGFRERBB2AAK1LCKKDR
SCHEMBL1219004 0.88 EGFR (0.79) EGFRERBB2AAK1LCKKDR
SCHEMBL3556977 0.88 EGFR (0.79) EGFRERBB2AAK1LCKKDR
SCHEMBL1219931 0.88 EGFR (0.79) EGFRERBB2AAK1LCKKDR
SCHEMBL1218844 0.86 EGFR (1.00) EGFRERBB2AAK1LCKKDR
SCHEMBL1219493 0.86 EGFR (1.00) EGFRERBB2AAK1LCKKDR
SCHEMBL1219044 0.86 EGFR (1.00) EGFRERBB2AAK1LCKKDR
SCHEMBL1220077 0.86 EGFR (1.00) EGFRERBB2AAK1LCKKDR
SCHEMBL3560329 0.86 EGFR (0.75) EGFRERBB2AAK1LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4740878-B2 2011-08-03 JP claimed
EP-1699797-B1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2009-09-23 EP claimed
JP-2007518721-A 2007-07-12 JP claimed
US-7141571-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-28 US claimed
EP-1699797-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-09-13 EP claimed
US-20050182058-A1 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-08-18 US claimed
WO-2005066176-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 WO claimed
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
EP-1699797-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2006-09-13 EP 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
WO-2005066176-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 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 (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 EGFR 4/4885ERBB2 1/4885AAK1 123/4885
US-20060155125-A1 Synthetic process ERBB2, ERBB4, EGFR EGFR 3/4885ERBB2 1/4885AAK1 381/4885
US-20060264438-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 EGFR 4/4885ERBB2 1/4885AAK1 123/4885
US-20050182058-A1 Pyrrolotriazine compounds as kinase inhibitors ERBB2, ERBB4, ERBB3 EGFR 4/4885ERBB2 1/4885AAK1 123/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 EGFR 4/4885ERBB2 1/4885AAK1 123/4885

“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.