SCHEMBL2118048

SCHEMBL2118048

Cc1ccsc1-c1nc(Cl)c(Cl)c(Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 8/20 0.43
CYP2C19 P33261 5/20 0.40
CYP3A4 P08684 4/20 0.40
CYP2B6 P20813 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2E1 P05181 1/20 0.40
NISCH Q9Y2I1 1/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 3/20 0.36
ALDH1A1 P00352 2/20 0.36
CASP3 P42574 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
S1PR1 P21453 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL21524082 0.78 CYP2A6 (0.47) CYP2A6CYP2C19CYP3A4CYP2B6CYP2D6
SCHEMBL15651933 0.75 KDM4E (0.34) CYP2A6CYP2C19CYP3A4CYP2B6CYP2D6
SCHEMBL11613197 0.74 CYP2A6 (0.45) CYP2A6CYP2C19CYP3A4CYP2B6CYP2D6
SCHEMBL1130760 0.74 CYP2A6 (0.41) CYP2A6CYP2C19CYP3A4CYP2B6CYP2D6
SCHEMBL2115254 0.73 CYP2A6 (0.47) CYP2A6CYP2C19CYP3A4CYP2B6CYP2D6
SCHEMBL722595 0.71 CYP2A6 (0.56) CYP2A6CYP2C19CYP3A4CYP2B6CYP2D6
SCHEMBL14886177 0.69 CYP2A6 (0.52) CYP2A6CYP2C19CYP3A4CYP2B6CYP2D6
SCHEMBL20138954 0.69 LMNA (0.40) CYP2C19CYP2D6CYP2C9LMNAKDM4E
SCHEMBL20320389 0.69 CYP2A6 (0.43) CYP2A6CYP2C19CYP3A4CYP2B6CYP2D6
SCHEMBL18783296 0.68 CYP2A6 (0.50) CYP2A6CYP2C19CYP3A4CYP2B6CYP2D6

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 647/4885CYP2C19 328/4885CYP3A4 1172/4885

“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.