SCHEMBL2220117

SCHEMBL2220117

CCN(C(=O)O)c1cccc(Cc2nn(-c3ccccc3)ccc2=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.41
GAA P10253 1/20 0.40
TP53 P04637 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CACNA2D1 P54289 5/20 0.39
POLB P06746 1/20 0.38
ELOVL1 Q9BW60 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37
HTT P42858 2/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
JAK2 O60674 1/20 0.37
RAB9A P51151 1/20 0.37
PAX8 Q06710 1/20 0.37
RXFP1 Q9HBX9 1/20 0.35
PDE10A Q9Y233 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL2222072 0.92 MEN1 (0.39) CYP2C9GAATP53MEN1KMT2A
SCHEMBL2268157 0.92 TP53 (0.36) CYP2C9GAATP53MEN1KMT2A
SCHEMBL2220930 0.91 MEN1 (0.38) CYP2C9GAATP53MEN1KMT2A
SCHEMBL2220848 0.90 TP53 (0.43) GAATP53MEN1KMT2AALDH1A1
SCHEMBL2220259 0.90 TP53 (0.36) CYP2C9TP53MEN1KMT2AHTT
SCHEMBL2365403 0.89 OPRM1 (0.38) TP53MEN1KMT2ACACNA2D1ALDH1A1
SCHEMBL2221519 0.89 TP53 (0.35) CYP2C9GAATP53MEN1KMT2A
SCHEMBL13274671 0.89 GRM5 (0.39) TP53MEN1KMT2ACACNA2D1POLB
SCHEMBL13274535 0.88 TP53 (0.37) CYP2C9TP53MEN1KMT2APOLB
SCHEMBL2221942 0.87 ENPP2 (0.35) CYP2C9TP53MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP 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
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 CYP2C9 4808/4885GAA 1463/4885TP53 190/4885

“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.