SCHEMBL4552654

SCHEMBL4552654

Fc1cccc(COc2ccc(Nc3ncnn4ccc(COCC5CNCCO5)c34)cc2Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 20/20 1.00
▸ ERBB2 P04626 20/20 1.00
▸ MET P08581 1/20 0.72
▸ ERBB3 P21860 1/20 0.49
▸ ERBB4 Q15303 1/20 0.49

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
SCHEMBL4552653 1.00 EGFR (1.00) EGFRERBB2METERBB3ERBB4
SCHEMBL12883670 0.86 EGFR (0.76) EGFRERBB2MET
SCHEMBL1218833 0.86 EGFR (0.76) EGFRERBB2MET
SCHEMBL2447488 0.83 EGFR (1.00) EGFRERBB2MET
SCHEMBL6099562 0.82 EGFR (0.72) EGFRERBB2ERBB3ERBB4
SCHEMBL4552408 0.82 ERBB2 (0.69) EGFRERBB2MET
SCHEMBL4552409 0.82 ERBB2 (0.69) EGFRERBB2MET
SCHEMBL12896111 0.81 EGFR (0.70) EGFRERBB2MET
SCHEMBL4551995 0.81 EGFR (0.94) EGFRERBB2ERBB3ERBB4
SCHEMBL6101396 0.80 EGFR (0.78) 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 1/4885MET 33/4885

“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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