SCHEMBL2222072

SCHEMBL2222072

CCN(C(=O)O)c1cccc(Cc2nn(-c3cccc(O)c3)ccc2=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 3/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B13 Q7Z5P4 1/20 0.34
PDE10A Q9Y233 1/20 0.34
GAA P10253 1/20 0.33
CACNA2D1 P54289 4/20 0.33
OPRM1 P35372 1/20 0.33
NPC1 O15118 1/20 0.32
JAK2 O60674 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
PAX8 Q06710 1/20 0.32
IDH1 O75874 1/20 0.32
HTR1B P28222 1/20 0.32
CYP3A4 P08684 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32

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) MEN1KMT2ATP53POLBALDH1A1
SCHEMBL2220930 0.89 MEN1 (0.38) MEN1KMT2ATP53POLBALDH1A1
SCHEMBL13275147 0.89 MEN1 (0.36) MEN1KMT2ATP53POLBALDH1A1
SCHEMBL2220848 0.89 TP53 (0.43) MEN1KMT2ATP53ALDH1A1GAA
SCHEMBL2268157 0.88 TP53 (0.36) MEN1KMT2ATP53POLBALDH1A1
SCHEMBL2365403 0.88 OPRM1 (0.38) MEN1KMT2ATP53ALDH1A1CACNA2D1
SCHEMBL13274671 0.87 GRM5 (0.39) MEN1KMT2ATP53POLBCACNA2D1
SCHEMBL13274535 0.87 TP53 (0.37) MEN1KMT2ATP53POLBALDH1A1
SCHEMBL2220259 0.86 TP53 (0.36) MEN1KMT2ATP53ALDH1A1CYP2C9
SCHEMBL2221519 0.85 TP53 (0.35) MEN1KMT2ATP53POLBALDH1A1

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
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 MEN1 1349/4885KMT2A 720/4885TP53 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.