SCHEMBL370989

SCHEMBL370989

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
KDM5A P29375 1/20 0.38
RIPK2 O43353 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ELOVL1 Q9BW60 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ENPP2 Q13822 1/20 0.34
FSCN1 Q16658 1/20 0.33
UBE2N P61088 1/20 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
SCHEMBL369816 0.83 GSK3B (0.43) KMT2ACYP2C9GAAALDH1A1POLB
SCHEMBL163545 0.81 CYP2C9 (0.63) KMT2ACYP2C9MEN1GAAALDH1A1
SCHEMBL13275030 0.79 KMT2A (0.38) KMT2ACYP2C9MEN1GAAALDH1A1
SCHEMBL12503525 0.77 EP300 (0.38) KMT2AMEN1ALDH1A1L3MBTL1HTT
SCHEMBL13506756 0.77 POLB (0.48) KMT2ACYP2C9MEN1GAAALDH1A1
SCHEMBL2221646 0.76 CYP2C9 (0.47) KMT2ACYP2C9MEN1GAAALDH1A1
SCHEMBL16330890 0.76 KDM5A (0.47) KMT2ACYP2C9MEN1KDM5ARIPK2
SCHEMBL12503425 0.76 MEN1 (0.40) KMT2AMEN1ALDH1A1POLBL3MBTL1
SCHEMBL369746 0.75 CYP2C9 (0.40) KMT2ACYP2C9MEN1GAAALDH1A1
SCHEMBL2222738 0.75 MEN1 (0.39) KMT2ACYP2C9MEN1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (2 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 KMT2A 720/4885CYP2C9 4808/4885MEN1 1349/4885
US-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET KMT2A 730/4885CYP2C9 4478/4885MEN1 1942/4885

“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.