SCHEMBL1218658

SCHEMBL1218658

NC1CCN(Cc2ccn3ncnc(Nc4ccc(F)c(C(F)(F)F)c4)c23)CC1

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 16/20 0.77
EGFR P00533 15/20 0.77
LCK P06239 2/20 0.77
KDR P35968 2/20 0.77
AAK1 Q2M2I8 4/20 0.63
PRKD3 O94806 1/20 0.60
PRKCG P05129 1/20 0.60
PRKCB P05771 1/20 0.60
CDK1 P06493 1/20 0.60
MET P08581 1/20 0.60
PRKCA P17252 1/20 0.60
PRKCH P24723 1/20 0.60
PRKCI P41743 1/20 0.60
PRKCE Q02156 1/20 0.60
PRKCQ Q04759 1/20 0.60
PRKCZ Q05513 1/20 0.60
PRKCD Q05655 1/20 0.60
PRKD1 Q15139 1/20 0.60

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
SCHEMBL1219640 0.90 ERBB2 (0.72) ERBB2EGFRLCKKDRAAK1
SCHEMBL1219465 0.90 EGFR (0.76) ERBB2EGFRLCKKDRAAK1
SCHEMBL1219652 0.90 EGFR (0.70) ERBB2EGFRLCKKDRAAK1
SCHEMBL1220062 0.90 ERBB2 (0.84) ERBB2EGFRLCKKDRAAK1
SCHEMBL3558680 0.88 EGFR (0.66) ERBB2EGFRLCKKDRAAK1
SCHEMBL3558678 0.88 EGFR (0.66) ERBB2EGFRLCKKDRAAK1
SCHEMBL1219542 0.87 ERBB2 (0.80) ERBB2EGFRLCKKDRAAK1
SCHEMBL1219457 0.87 EGFR (1.00) ERBB2EGFRLCKKDRAAK1
SCHEMBL1219097 0.86 ERBB2 (0.77) ERBB2EGFRLCKKDRAAK1
SCHEMBL3555249 0.86 EGFR (0.77) ERBB2EGFRLCKKDRAAK1

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
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-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 ERBB2 1/4885EGFR 4/4885LCK 21/4885
US-20060155125-A1 Synthetic process ERBB2, ERBB4, EGFR ERBB2 1/4885EGFR 3/4885LCK 14/4885
US-20060264438-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 ERBB2 1/4885EGFR 4/4885LCK 21/4885
US-20050182058-A1 Pyrrolotriazine compounds as kinase inhibitors ERBB2, ERBB4, ERBB3 ERBB2 1/4885EGFR 4/4885LCK 21/4885
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 ERBB2 1/4885EGFR 4/4885LCK 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.