SCHEMBL4821080

SCHEMBL4821080

Nc1ccc(Nc2ncnn3ccc(CN4CCC(NC(=O)O)CC4)c23)cc1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ERBB2 P04626 15/20 0.67
▸ EGFR P00533 14/20 0.67
▸ AAK1 Q2M2I8 5/20 0.56
▸ LCK P06239 1/20 0.56
▸ KDR P35968 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
SCHEMBL18011052 0.91 EGFR (0.66) ERBB2EGFRAAK1
SCHEMBL14017663 0.87 AAK1 (0.74) ERBB2EGFRAAK1LCKKDR
SCHEMBL6099658 0.87 EGFR (0.61) ERBB2EGFRAAK1LCKKDR
SCHEMBL18011043 0.84 AAK1 (0.80) ERBB2EGFRAAK1LCKKDR
SCHEMBL4562683 0.81 EGFR (0.56) ERBB2EGFRAAK1LCKKDR
SCHEMBL1220319 0.81 ERBB2 (0.75) ERBB2EGFRAAK1LCKKDR
SCHEMBL18011049 0.80 AAK1 (0.56) ERBB2EGFRAAK1LCKKDR
SCHEMBL6100942 0.80 EGFR (0.66) ERBB2EGFRAAK1LCKKDR
SCHEMBL1219763 0.80 ERBB2 (1.00) ERBB2EGFRAAK1LCKKDR
SCHEMBL1220220 0.80 ERBB2 (0.77) ERBB2EGFRAAK1LCKKDR

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
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 — — US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 — — US disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 — — US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 — — US 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 (3 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 ERBB2 32/4885EGFR 408/4885AAK1 204/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 ERBB2 162/4885EGFR 1009/4885AAK1 120/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 ERBB2 32/4885EGFR 408/4885AAK1 204/4885

“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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