SCHEMBL4820537

SCHEMBL4820537

CSc1ncnn2ccc(CN3CC(CNC(=O)O)C3)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 12/20 0.43
EGFR P00533 12/20 0.43
AAK1 Q2M2I8 6/20 0.39
MET P08581 1/20 0.38
TTBK1 Q5TCY1 1/20 0.37
TTBK2 Q6IQ55 1/20 0.37
LCK P06239 2/20 0.36
CIT O14578 1/20 0.36
CHEK1 O14757 1/20 0.36
GAK O14976 1/20 0.36
STK10 O94804 1/20 0.36
PRKD3 O94806 1/20 0.36
ABL1 P00519 1/20 0.36
FYN P06241 1/20 0.36
YES1 P07947 1/20 0.36
LYN P07948 1/20 0.36
RET P07949 1/20 0.36
HCK P08631 1/20 0.36
SRC P12931 1/20 0.36
PHKG2 P15735 1/20 0.36

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
SCHEMBL14017708 0.86 AAK1 (0.44) ERBB2EGFRAAK1MET
SCHEMBL4819515 0.76 MET (0.57) ERBB2EGFRAAK1MET
SCHEMBL4813480 0.74 ERBB2 (0.54) ERBB2EGFRAAK1METLCK
SCHEMBL1219397 0.71 AAK1 (0.61) ERBB2EGFRAAK1MET
SCHEMBL21561513 0.70 ERBB2 (0.41) ERBB2EGFRAAK1TTBK1TTBK2
SCHEMBL1220750 0.63 ERBB2 (0.77) ERBB2EGFRAAK1LCKKDR
SCHEMBL1220220 0.61 ERBB2 (0.77) ERBB2EGFRAAK1LCKKDR
SCHEMBL1219763 0.60 ERBB2 (1.00) ERBB2EGFRAAK1LCKKDR
SCHEMBL1219490 0.60 ERBB2 (1.00) ERBB2EGFRAAK1LCKKDR
SCHEMBL25401088 0.57 TP53 (0.69)

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.