SCHEMBL17013472

SCHEMBL17013472

NCc1ccc(CO)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 10/20 0.52
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
CSNK2A3 Q8NEV1 1/20 0.45
PNMT P11086 2/20 0.42
TAAR1 Q96RJ0 2/20 0.41
LOX P28300 1/20 0.39
LOXL3 P58215 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
KLK1 P06870 2/20 0.39
KLKB1 P03952 1/20 0.39
ABAT P80404 1/20 0.38
CYP3A4 P08684 1/20 0.38
ENPP2 Q13822 1/20 0.38

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
SCHEMBL522987 0.85 RECQL (0.43) PNMTTAAR1CYP3A4
SCHEMBL2006591 0.85 CSNK2A1 (0.52) CSNK2A1CSNK2A2CSNK2BCSNK2A3PNMT
SCHEMBL27859143 0.83 CSNK2A1 (0.47) CSNK2A1CSNK2A2CSNK2BCSNK2A3PNMT
SCHEMBL8772771 0.79 TRPA1 (0.43) CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL15047147 0.79 CSNK2A1 (0.47) CSNK2A1CSNK2A2CSNK2BCSNK2A3PNMT
SCHEMBL30442346 0.79 CYP4F2 (0.40) PNMTTAAR1CYP3A4
SCHEMBL5138176 0.79 CSNK2A1 (0.62) CSNK2A1CSNK2A2CSNK2BCSNK2A3PNMT
SCHEMBL7164454 0.79 CYP4F2 (0.40) PNMTTAAR1CYP3A4
SCHEMBL14756787 0.77 ABAT (0.44) TAAR1LOXL2ABATENPP2
SCHEMBL12429996 0.77 LOXL2 (0.41) CSNK2A1PNMTLOXL2ABATENPP2

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-9359371-B2 Bicyclic substituted pyrimidine compounds Xuanzhu Pharma Co., Ltd. (CN) 2016-06-07 US disclosed
US-20150232474-A1 Bicyclic Substituted Pyrimidine Compounds Xuanzhu Biopharmaceutical Co., Ltd. (CN) 2015-08-20 US disclosed
CN-102105473-B Tricyclic nitrogen containing compounds and their use as antibacterials GLAXO GROUP LTD 2013-05-08 CN disclosed
CN-102105473-A Tricyclic nitrogen containing compounds and their use as antibacterials GLAXO GROUP LTD 2011-06-22 CN 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-20150232474-A1 Bicyclic Substituted Pyrimidine Compounds DPYD, UMPS, TYMP CSNK2A1 3501/4885CSNK2A2 3479/4885CSNK2B 3382/4885

“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.