SCHEMBL2268987

SCHEMBL2268987

Cn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncc(CCc5ccccc5)cn4)c3)n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B13 Q7Z5P4 1/20 0.37
ENPP2 Q13822 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
MET P08581 2/20 0.34
AURKB Q96GD4 2/20 0.34
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
NTRK1 P04629 1/20 0.34
YES1 P07947 1/20 0.34
PIM1 P11309 1/20 0.34
MAPK1 P28482 1/20 0.34
IRAK4 Q9NWZ3 7/20 0.33
IRAK1 P51617 6/20 0.33

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
SCHEMBL13275123 0.94 HSD17B13 (0.37) HSD17B13ENPP2PPARGPPARAMET
SCHEMBL2275188 0.91 MET (0.36) HSD17B13ENPP2PPARGPPARAMET
SCHEMBL12517647 0.91 RARB (0.36) HSD17B13ENPP2MEN1ALDH1A1LMNA
SCHEMBL2221300 0.91 HSD17B13 (0.38) HSD17B13ENPP2METIRAK4IRAK1
SCHEMBL2221574 0.90 IRAK1 (0.39) HSD17B13ENPP2PPARGPPARAMEN1
SCHEMBL2269058 0.90 ENPP2 (0.41) HSD17B13ENPP2PPARGPPARAMEN1
SCHEMBL2268897 0.90 HSD17B13 (0.39) HSD17B13ENPP2METIRAK4IRAK1
SCHEMBL2276244 0.90 MET (0.40) METIRAK4IRAK1FYN
SCHEMBL12516405 0.90 MET (0.40) HSD17B13ENPP2PPARGPPARAMEN1
SCHEMBL2221907 0.89 ALKBH1 (0.41) HSD17B13PPARGPPARA

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
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
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 HSD17B13 3914/4885ENPP2 1293/4885PPARG 2354/4885

“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.