SCHEMBL4563315

SCHEMBL4563315

NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5nccc6ccccc56)c(Cl)c4)c23)CC1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.75
▸ ERBB2 P04626 19/20 0.75
▸ LCK P06239 1/20 0.63
▸ KDR P35968 1/20 0.63
▸ AAK1 Q2M2I8 1/20 0.54

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
SCHEMBL4422090 0.86 EGFR (1.00) EGFRERBB2LCKKDRAAK1
SCHEMBL4415698 0.86 AAK1 (0.60) EGFRERBB2LCKKDRAAK1
SCHEMBL4550635 0.85 EGFR (0.79) EGFRERBB2LCKKDRAAK1
SCHEMBL4423776 0.84 EGFR (0.83) EGFRERBB2LCKKDRAAK1
SCHEMBL6100376 0.83 EGFR (1.00) EGFRERBB2LCKKDR
SCHEMBL6097768 0.83 EGFR (0.78) EGFRERBB2LCKKDRAAK1
SCHEMBL4563501 0.83 EGFR (0.80) EGFRERBB2LCKKDRAAK1
SCHEMBL4566398 0.83 EGFR (1.00) EGFRERBB2LCKKDRAAK1
SCHEMBL4419944 0.82 EGFR (1.00) EGFRERBB2LCKKDR
SCHEMBL1220849 0.82 EGFR (1.00) EGFRERBB2LCKKDRAAK1

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 1/4885LCK 9/4885

“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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