SCHEMBL1219503

SCHEMBL1219503

N#Cc1ccc(F)c(Nc2ncnn3ccc(CN4CCC(N)C(OC(N)=O)C4)c23)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 5/20 0.66
▸ EGFR P00533 16/20 0.48
▸ ERBB2 P04626 15/20 0.48
▸ LCK P06239 2/20 0.48
▸ KDR P35968 1/20 0.48
▸ CIT O14578 1/20 0.48
▸ CHEK1 O14757 1/20 0.48
▸ GAK O14976 1/20 0.48
▸ STK10 O94804 1/20 0.48
▸ PRKD3 O94806 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ FYN P06241 1/20 0.48
▸ YES1 P07947 1/20 0.48
▸ LYN P07948 1/20 0.48
▸ RET P07949 1/20 0.48
▸ HCK P08631 1/20 0.48
▸ SRC P12931 1/20 0.48
▸ PHKG2 P15735 1/20 0.48
▸ PRKCA P17252 1/20 0.48
▸ PRKACA P17612 1/20 0.48

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
SCHEMBL1219499 1.00 AAK1 (0.66) AAK1EGFRERBB2LCKKDR
SCHEMBL1220113 1.00 AAK1 (0.66) AAK1EGFRERBB2LCKKDR
SCHEMBL4322112 0.87 AAK1 (0.66) AAK1EGFRERBB2LCKKDR
SCHEMBL4341416 0.87 AAK1 (0.66) AAK1EGFRERBB2LCKKDR
SCHEMBL3553117 0.87 EGFR (0.60) AAK1EGFRERBB2LCKCIT
SCHEMBL4416439 0.87 EGFR (0.60) AAK1EGFRERBB2LCKCIT
SCHEMBL1220131 0.87 EGFR (0.60) AAK1EGFRERBB2LCKCIT
SCHEMBL1220394 0.83 EGFR (0.71) AAK1EGFRERBB2LCKKDR
SCHEMBL1220396 0.83 EGFR (0.71) AAK1EGFRERBB2LCKKDR
SCHEMBL1220440 0.83 EGFR (0.71) 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 7 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-7297695-B2 Pyrrolotriazine compounds as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-20 — — 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-20110039838-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 AAK1 123/4885EGFR 4/4885ERBB2 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

“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.

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