SCHEMBL163545

SCHEMBL163545

Cn1cc(-n2ccc(=O)c(C(=O)O)n2)cn1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.63
KMT2A Q03164 3/20 0.58
MEN1 O00255 1/20 0.57
GAA P10253 1/20 0.49
POLB P06746 2/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.38
UBE2N P61088 2/20 0.38
KDM5A P29375 1/20 0.38
MAPT P10636 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36

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
SCHEMBL13449431 0.90 CYP2C9 (0.58) CYP2C9KMT2AMEN1GAAPOLB
SCHEMBL2221646 0.86 CYP2C9 (0.47) CYP2C9KMT2AMEN1GAAPOLB
SCHEMBL255707 0.83 GAA (0.48) CYP2C9KMT2AMEN1GAAPOLB
SCHEMBL13449424 0.82 CYP2C9 (0.56) CYP2C9KMT2AMEN1GAAPOLB
SCHEMBL2221328 0.82 GAA (0.44) CYP2C9KMT2AMEN1GAAPOLB
SCHEMBL2269789 0.82 CYP2C9 (0.58) CYP2C9KMT2AMEN1GAAPOLB
SCHEMBL370989 0.81 KMT2A (0.40) CYP2C9KMT2AMEN1GAAPOLB
SCHEMBL13275030 0.80 KMT2A (0.38) CYP2C9KMT2AMEN1GAAPOLB
SCHEMBL16330890 0.80 KDM5A (0.47) CYP2C9KMT2AMEN1L3MBTL1KDM5A
SCHEMBL369746 0.79 CYP2C9 (0.40) CYP2C9KMT2AMEN1GAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611450-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-10 EP disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP 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
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO 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 (3 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 4808/4885KMT2A 720/4885MEN1 1349/4885
US-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET CYP2C9 4478/4885KMT2A 730/4885MEN1 1942/4885
US-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 CYP2C9 4722/4885KMT2A 651/4885MEN1 975/4885

“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.