SCHEMBL2334239

SCHEMBL2334239

Cn1cc(-n2ccc(=O)c(Cc3cccc(N(CCF)C(=O)O)c3)n2)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRM1 P11229 1/20 0.32
FYN P06241 1/20 0.32
MAPK1 P28482 1/20 0.32
PDE10A Q9Y233 1/20 0.31
MET P08581 3/20 0.31
COMT P21964 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR3 P22607 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
ALK Q9UM73 1/20 0.31
CYP2C9 P11712 1/20 0.31
PDPK1 O15530 1/20 0.31
RPS6KB1 P23443 1/20 0.31
LRRK2 Q5S007 1/20 0.31
AURKB Q96GD4 1/20 0.31
CACNA2D1 P54289 1/20 0.30

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
SCHEMBL2221804 0.92 ENPP2 (0.35) ENPP2MEN1KMT2AFYNMAPK1
SCHEMBL2272785 0.92 ENPP2 (0.35) ENPP2MEN1KMT2AFYNMAPK1
SCHEMBL2269504 0.91 CREBBP (0.34) ENPP2MEN1KMT2ACHRM1PDE10A
SCHEMBL13275446 0.90 RAB9A (0.37) ENPP2MEN1KMT2ACHRM1MAPK1
SCHEMBL2221942 0.90 ENPP2 (0.35) ENPP2MEN1KMT2AFYNMAPK1
SCHEMBL13507143 0.90 ENPP2 (0.33) ENPP2MEN1KMT2ACACNA2D1
SCHEMBL2221339 0.90 IGF1R (0.33) ENPP2MEN1KMT2APDE10AMET
SCHEMBL2272546 0.90 ENPP2 (0.33) ENPP2MEN1KMT2AMETFGFR1
SCHEMBL2263325 0.89 ENPP2 (0.33) ENPP2MEN1KMT2AFGFR1FGFR3
SCHEMBL2361416 0.89 ENPP2 (0.34) ENPP2MEN1KMT2ACHRM1FYN

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
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US 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 ENPP2 1293/4885MEN1 1349/4885KMT2A 720/4885

“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.