SCHEMBL3558424

SCHEMBL3558424

NC1CCN(Cc2ccn3ncnc(Nc4cccc(CO)c4)c23)CC1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 9/20 0.77
ERBB2 P04626 9/20 0.77
AAK1 Q2M2I8 11/20 0.73
LCK P06239 1/20 0.66
KDR P35968 1/20 0.66

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
SCHEMBL1219493 0.87 EGFR (1.00) EGFRERBB2AAK1LCKKDR
SCHEMBL1219044 0.87 EGFR (1.00) EGFRERBB2AAK1LCKKDR
SCHEMBL1220077 0.87 EGFR (1.00) EGFRERBB2AAK1LCKKDR
SCHEMBL1218844 0.87 EGFR (1.00) EGFRERBB2AAK1LCKKDR
SCHEMBL1219490 0.86 ERBB2 (1.00) EGFRERBB2AAK1LCKKDR
SCHEMBL1219940 0.85 AAK1 (0.78) EGFRERBB2AAK1LCKKDR
SCHEMBL1218830 0.85 EGFR (0.75) EGFRERBB2AAK1LCKKDR
SCHEMBL1218596 0.84 EGFR (1.00) EGFRERBB2AAK1LCKKDR
SCHEMBL1220015 0.84 EGFR (0.79) EGFRERBB2AAK1LCKKDR
SCHEMBL1220498 0.84 EGFR (0.78) EGFRERBB2AAK1LCKKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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.