Sugi Predict

Sugi Predict / Compounds / SCHEMBL1219636

SCHEMBL1219636

SCHEMBL1219636

Cc1ccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 15/20 0.76
▸ ERBB2 P04626 15/20 0.76
▸ AAK1 Q2M2I8 5/20 0.72
▸ LCK P06239 2/20 0.72
▸ CIT O14578 1/20 0.72
▸ CHEK1 O14757 1/20 0.72
▸ GAK O14976 1/20 0.72
▸ STK10 O94804 1/20 0.72
▸ PRKD3 O94806 1/20 0.72
▸ ABL1 P00519 1/20 0.72
▸ FYN P06241 1/20 0.72
▸ YES1 P07947 1/20 0.72
▸ LYN P07948 1/20 0.72
▸ RET P07949 1/20 0.72
▸ HCK P08631 1/20 0.72
▸ SRC P12931 1/20 0.72
▸ PHKG2 P15735 1/20 0.72
▸ PRKCA P17252 1/20 0.72
▸ PRKACA P17612 1/20 0.72
▸ CSNK2A2 P19784 1/20 0.72

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
SCHEMBL1219969 0.91 EGFR (0.69) EGFRERBB2AAK1LCKCIT
SCHEMBL1220277 0.91 EGFR (0.72) EGFRERBB2AAK1LCKCIT
SCHEMBL1218753 0.91 EGFR (0.77) EGFRERBB2AAK1LCKCIT
SCHEMBL1217694 0.90 EGFR (0.73) EGFRERBB2AAK1LCKCIT
SCHEMBL1221024 0.89 AAK1 (0.80) EGFRERBB2AAK1LCKCIT
SCHEMBL1221026 0.89 AAK1 (0.80) EGFRERBB2AAK1LCKCIT
SCHEMBL1220336 0.89 AAK1 (0.80) EGFRERBB2AAK1LCKCIT
SCHEMBL1220379 0.89 AAK1 (0.80) EGFRERBB2AAK1LCKCIT
SCHEMBL1220106 0.89 EGFR (0.71) EGFRERBB2AAK1LCKCIT
SCHEMBL1219630 0.88 EGFR (0.70) EGFRERBB2AAK1LCKCIT

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-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 (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 1/4885AAK1 123/4885
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.