SCHEMBL4551998

SCHEMBL4551998

OCCSCc1ccn2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.70
▸ ERBB2 P04626 16/20 0.70
▸ ERBB3 P21860 1/20 0.53
▸ ERBB4 Q15303 1/20 0.53
▸ GAK O14976 1/20 0.51

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
SCHEMBL6101396 0.89 EGFR (0.78) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL4552551 0.89 EGFR (0.77) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL6097895 0.87 EGFR (0.71) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL6101815 0.87 EGFR (0.71) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL6101019 0.85 EGFR (0.68) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL6101040 0.83 EGFR (0.75) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL4551995 0.82 EGFR (0.94) EGFRERBB2ERBB3ERBB4
SCHEMBL4419839 0.81 EGFR (1.00) EGFRERBB2
SCHEMBL4552362 0.81 EGFR (0.69) EGFRERBB2ERBB3ERBB4GAK
SCHEMBL6099367 0.80 EGFR (1.00) EGFRERBB2ERBB3ERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699798-A4 DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2009-03-11 — — EP disclosed
EP-1699798-A2 DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS Bristol-Myers Squibb Company (US) 2006-09-13 — — EP disclosed
US-7064203-B2 Di-substituted pyrrolotriazine compounds BRISTOL MYERS SQUIBB COMPANY (US) 2006-06-20 — — US disclosed
US-20050197339-A1 Di-substituted pyrrolotrizine compounds BRISTOL-MYERS SQUIBB COMPANY 2005-09-08 — — US disclosed
WO-2005065266-A2 DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 — — WO 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-20050197339-A1 Di-substituted pyrrolotrizine compounds ERBB2, ERBB4, EGFR EGFR 3/4885ERBB2 1/4885ERBB3 4/4885

“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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