SCHEMBL4423857

SCHEMBL4423857

N#Cc1cc(Nc2ncnn3ccc(CN4CCC(N)CC4)c23)ccc1OCc1cccc(F)c1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 19/20 0.80
▸ ERBB2 P04626 19/20 0.80
▸ LCK P06239 2/20 0.65
▸ KDR P35968 2/20 0.65
▸ PRKD3 O94806 1/20 0.65
▸ PRKCG P05129 1/20 0.65
▸ PRKCB P05771 1/20 0.65
▸ CDK1 P06493 1/20 0.65
▸ MET P08581 1/20 0.65
▸ PRKCA P17252 1/20 0.65
▸ PRKCH P24723 1/20 0.65
▸ PRKCI P41743 1/20 0.65
▸ PRKCE Q02156 1/20 0.65
▸ PRKCQ Q04759 1/20 0.65
▸ PRKCZ Q05513 1/20 0.65
▸ PRKCD Q05655 1/20 0.65
▸ PRKD1 Q15139 1/20 0.65
▸ AAK1 Q2M2I8 1/20 0.56

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
SCHEMBL4419839 0.89 EGFR (1.00) EGFRERBB2LCKKDRPRKD3
SCHEMBL6098604 0.86 EGFR (0.79) EGFRERBB2LCKKDRPRKD3
SCHEMBL3555278 0.84 EGFR (0.76) EGFRERBB2LCKKDRPRKD3
SCHEMBL1220077 0.83 EGFR (1.00) EGFRERBB2LCKKDRPRKD3
SCHEMBL1219502 0.81 EGFR (0.76) EGFRERBB2LCKKDRAAK1
SCHEMBL6101136 0.80 EGFR (0.84) EGFRERBB2LCKKDRPRKD3
SCHEMBL1219572 0.79 EGFR (0.83) EGFRERBB2LCKKDRAAK1
SCHEMBL2443464 0.79 EGFR (1.00) EGFRERBB2LCKKDRPRKD3
SCHEMBL4551995 0.79 EGFR (0.94) EGFRERBB2
SCHEMBL3555249 0.78 EGFR (0.77) EGFRERBB2LCKKDRPRKD3

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 10 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 claimed
EP-1699798-A2 DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS Bristol-Myers Squibb Company (US) 2006-09-13 — — EP claimed
US-7064203-B2 Di-substituted pyrrolotriazine compounds BRISTOL MYERS SQUIBB COMPANY (US) 2006-06-20 — — US claimed
US-20050197339-A1 Di-substituted pyrrolotrizine compounds BRISTOL-MYERS SQUIBB COMPANY 2005-09-08 — — US claimed
WO-2005065266-A2 DI-SUBSTITUTED PYRROLOTRIAZINE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-21 — — WO claimed
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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