SCHEMBL4328845

SCHEMBL4328845

N#Cc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@@H](NC(=O)O)C4)c23)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.60
▸ ERBB2 P04626 8/20 0.60
▸ AAK1 Q2M2I8 12/20 0.58
▸ CIT O14578 1/20 0.58
▸ CHEK1 O14757 1/20 0.58
▸ GAK O14976 1/20 0.58
▸ STK10 O94804 1/20 0.58
▸ PRKD3 O94806 1/20 0.58
▸ ABL1 P00519 1/20 0.58
▸ LCK P06239 1/20 0.58
▸ FYN P06241 1/20 0.58
▸ YES1 P07947 1/20 0.58
▸ LYN P07948 1/20 0.58
▸ RET P07949 1/20 0.58
▸ HCK P08631 1/20 0.58
▸ SRC P12931 1/20 0.58
▸ PHKG2 P15735 1/20 0.58
▸ PRKCA P17252 1/20 0.58
▸ PRKACA P17612 1/20 0.58
▸ CSNK2A2 P19784 1/20 0.58

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
SCHEMBL4332916 1.00 EGFR (0.60) EGFRERBB2AAK1CITCHEK1
SCHEMBL4331195 0.93 EGFR (0.72) EGFRERBB2AAK1CITCHEK1
SCHEMBL4324975 0.93 EGFR (0.72) EGFRERBB2AAK1CITCHEK1
SCHEMBL4328958 0.89 EGFR (0.72) EGFRERBB2AAK1CITCHEK1
SCHEMBL4329269 0.89 EGFR (0.72) EGFRERBB2AAK1CITCHEK1
SCHEMBL4331313 0.89 EGFR (0.71) EGFRERBB2AAK1CITCHEK1
SCHEMBL1220055 0.89 EGFR (0.71) EGFRERBB2AAK1CITCHEK1
SCHEMBL4421457 0.88 EGFR (0.74) EGFRERBB2AAK1CITCHEK1
SCHEMBL3552869 0.88 EGFR (0.74) EGFRERBB2AAK1CITCHEK1
SCHEMBL1219025 0.88 EGFR (0.74) EGFRERBB2AAK1CITCHEK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2009-02-19 — — 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 (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-20090048244-A1 PYRROLOTRIAZINE COMPOUNDS AS KINASE INHIBITORS ERBB2, ERBB4, ERBB3 EGFR 4/4885ERBB2 1/4885AAK1 123/4885

“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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