SCHEMBL1220141

SCHEMBL1220141

COc1cc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](OC)C4)c23)ccc1F

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.63
ERBB2 P04626 17/20 0.63
LCK P06239 3/20 0.62
AAK1 Q2M2I8 3/20 0.62
PRKD3 O94806 2/20 0.62
PRKCA P17252 2/20 0.62
PRKCI P41743 2/20 0.62
PRKCD Q05655 2/20 0.62
CIT O14578 1/20 0.62
CHEK1 O14757 1/20 0.62
GAK O14976 1/20 0.62
STK10 O94804 1/20 0.62
ABL1 P00519 1/20 0.62
FYN P06241 1/20 0.62
YES1 P07947 1/20 0.62
LYN P07948 1/20 0.62
RET P07949 1/20 0.62
HCK P08631 1/20 0.62
SRC P12931 1/20 0.62
PHKG2 P15735 1/20 0.62

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
SCHEMBL1220989 0.91 EGFR (0.75) EGFRERBB2LCKAAK1PRKD3
SCHEMBL1220047 0.91 EGFR (0.75) EGFRERBB2LCKAAK1PRKD3
SCHEMBL1219527 0.91 EGFR (0.75) EGFRERBB2LCKAAK1PRKD3
SCHEMBL1220659 0.91 EGFR (0.75) EGFRERBB2LCKAAK1PRKD3
SCHEMBL1220238 0.91 EGFR (0.59) EGFRERBB2LCKAAK1PRKD3
SCHEMBL1220243 0.91 EGFR (0.59) EGFRERBB2LCKAAK1PRKD3
SCHEMBL1220343 0.91 EGFR (0.59) EGFRERBB2LCKAAK1PRKD3
SCHEMBL1220078 0.89 ERBB2 (0.78) EGFRERBB2LCKAAK1KDR
SCHEMBL4331241 0.87 EGFR (0.58) EGFRERBB2LCKAAK1PRKD3
SCHEMBL6097597 0.87 EGFR (0.58) EGFRERBB2LCKAAK1PRKD3

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 13 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-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
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
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 US 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-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 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 (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-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 EGFR 4/4885ERBB2 1/4885LCK 21/4885
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.