SCHEMBL4415698

SCHEMBL4415698

CC(C)(C)OC(=O)NC1CCN(Cc2ccn3ncnc(Nc4ccc(OCc5nccc6ccccc56)c(Cl)c4)c23)CC1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 5/20 0.60
▸ EGFR P00533 15/20 0.56
▸ ERBB2 P04626 15/20 0.56
▸ LCK P06239 1/20 0.46
▸ KDR P35968 1/20 0.46

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
SCHEMBL4551758 0.88 EGFR (0.73) AAK1EGFRERBB2LCKKDR
SCHEMBL4416223 0.87 AAK1 (0.61) AAK1EGFRERBB2LCKKDR
SCHEMBL4563315 0.86 EGFR (0.75) AAK1EGFRERBB2LCKKDR
SCHEMBL4552306 0.86 EGFR (0.74) AAK1EGFRERBB2LCKKDR
SCHEMBL1220119 0.82 AAK1 (0.80) AAK1EGFRERBB2LCKKDR
SCHEMBL16646843 0.79 AAK1 (0.73) AAK1EGFRERBB2LCK
SCHEMBL14017663 0.79 AAK1 (0.74) AAK1EGFRERBB2LCKKDR
SCHEMBL6100942 0.77 EGFR (0.66) AAK1EGFRERBB2LCKKDR
SCHEMBL21561496 0.76 AAK1 (0.66) AAK1EGFRERBB2
SCHEMBL16646766 0.75 AAK1 (1.00) 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 6 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
WO-2005003140-A1 4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-01-13 — — 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 AAK1 345/4885EGFR 3/4885ERBB2 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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