SCHEMBL13274751

SCHEMBL13274751

Cn1cc(-n2ccc(=O)c(Cc3cccc(-c4ncn(CCc5ccccc5)n4)c3)n2)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.37
HDAC1 Q13547 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
MET P08581 3/20 0.34
ENPP2 Q13822 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
AURKB Q96GD4 2/20 0.32
CTSV O60911 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
NTRK1 P04629 1/20 0.32
YES1 P07947 1/20 0.32
PIM1 P11309 1/20 0.32
MAPK1 P28482 1/20 0.32
PDE10A Q9Y233 1/20 0.32
TRPA1 O75762 1/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 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
SCHEMBL13275084 0.91 IGF1R (0.35) DGAT1HDAC1HDAC6METENPP2
SCHEMBL12517718 0.90 IRAK4 (0.36) METENPP2FYN
SCHEMBL2262984 0.90 IGF1R (0.36) HDAC1HDAC6METENPP2FYN
SCHEMBL2262464 0.90 DGAT1 (0.36) DGAT1HDAC1HDAC6METENPP2
SCHEMBL13275090 0.89 IGF1R (0.39) HDAC1HDAC6METENPP2PPARG
SCHEMBL2268875 0.89 FYN (0.33) HDAC1HDAC6METENPP2CTSV
SCHEMBL13275158 0.88 IRAK1 (0.38) HDAC1HDAC6METENPP2CTSV
SCHEMBL13274820 0.88 IGF1R (0.34) METENPP2AURKBPIM1FYN
SCHEMBL2268987 0.88 HSD17B13 (0.37) METENPP2PPARGPPARAAURKB
SCHEMBL13274689 0.87 IGF1R (0.40) HDAC1HDAC6METENPP2PPARG

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
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 DGAT1 3494/4885HDAC1 1393/4885HDAC6 1298/4885

“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.