SCHEMBL2268157

SCHEMBL2268157

CCN(C(=O)O)c1cccc(Cc2nn(-c3ccc(Br)cc3)ccc2=O)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.36
KMT2A Q03164 4/20 0.34
MEN1 O00255 3/20 0.34
CYP2C9 P11712 1/20 0.34
GAA P10253 1/20 0.33
CACNA2D1 P54289 3/20 0.33
HTT P42858 3/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.32
NPC1 O15118 1/20 0.32
JAK2 O60674 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL2220117 0.92 CYP2C9 (0.41) TP53KMT2AMEN1CYP2C9GAA
SCHEMBL2220930 0.91 MEN1 (0.38) TP53KMT2AMEN1CYP2C9GAA
SCHEMBL2222072 0.88 MEN1 (0.39) TP53KMT2AMEN1CYP2C9GAA
SCHEMBL13274535 0.87 TP53 (0.37) TP53KMT2AMEN1CYP2C9MAPT
SCHEMBL2220259 0.86 TP53 (0.36) TP53KMT2AMEN1CYP2C9HTT
SCHEMBL2221519 0.85 TP53 (0.35) TP53KMT2AMEN1CYP2C9GAA
SCHEMBL2220848 0.85 TP53 (0.43) TP53KMT2AMEN1GAAMAPT
SCHEMBL2365403 0.84 OPRM1 (0.38) TP53KMT2AMEN1CACNA2D1MAPT
SCHEMBL2221942 0.84 ENPP2 (0.35) TP53KMT2AMEN1CYP2C9HTT
SCHEMBL2219994 0.84 MEN1 (0.37) KMT2AMEN1CYP2C9CACNA2D1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US claimed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 WO claimed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 TP53 190/4885KMT2A 720/4885MEN1 1349/4885

“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.