SCHEMBL2115254

SCHEMBL2115254

Cc1ccsc1-c1nc(O)cc(O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.47
CYP3A4 P08684 4/20 0.40
CYP2C19 P33261 4/20 0.40
KDM4E B2RXH2 3/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2B6 P20813 2/20 0.40
CYP1A2 P05177 2/20 0.40
HTT P42858 1/20 0.40
RECQL P46063 1/20 0.40
CYP2E1 P05181 1/20 0.40
NISCH Q9Y2I1 1/20 0.39
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
HPGD P15428 1/20 0.36
PGR P06401 1/20 0.36
QPCT Q16769 1/20 0.36
LMNA P02545 1/20 0.35
S1PR4 O95977 1/20 0.35

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
SCHEMBL5023093 0.88 CYP2A6 (0.42) CYP2A6CYP3A4CYP2C19KDM4ECYP2D6
SCHEMBL21524082 0.78 CYP2A6 (0.47) CYP2A6CYP3A4CYP2C19KDM4ECYP2D6
SCHEMBL11613197 0.74 CYP2A6 (0.45) CYP2A6CYP3A4CYP2C19KDM4ECYP2D6
SCHEMBL13147763 0.74 KDM4E (0.39) CYP2A6CYP3A4CYP2C19KDM4ECYP2D6
SCHEMBL2118048 0.73 CYP2A6 (0.43) CYP2A6CYP3A4CYP2C19KDM4ECYP2D6
SCHEMBL577846 0.71 KDM4E (0.37) CYP2A6CYP3A4CYP2C19KDM4ECYP2D6
SCHEMBL722595 0.71 CYP2A6 (0.56) CYP2A6CYP3A4CYP2C19KDM4ECYP2D6
SCHEMBL1130760 0.70 CYP2A6 (0.41) CYP2A6CYP3A4CYP2C19KDM4ECYP2D6
SCHEMBL14886177 0.69 CYP2A6 (0.52) CYP2A6CYP3A4CYP2C19KDM4ECYP2D6
SCHEMBL20320389 0.69 CYP2A6 (0.43) CYP2A6CYP3A4CYP2C19KDM4ECYP2D6

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
CN-101646657-B Process for producing trichloropyrimidine compound SUMITOMO CHEMICAL CO JP 2012-08-08 CN disclosed
US-8158787-B2 Process for producing trichloropyrimidine compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-17 US disclosed
US-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-24 US disclosed
EP-2128141-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND Sumitomo Chemical Company, Limited (JP) 2009-12-02 EP 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-20100160630-A1 PROCESS FOR PRODUCING TRICHLOROPYRIMIDINE COMPOUND DPYD, TYMP, TST CYP2A6 647/4885CYP3A4 1172/4885CYP2C19 328/4885

“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.