SCHEMBL2117929

SCHEMBL2117929

CC(C)c1csc(-c2nc(O)cc(O)n2)n1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 1/20 0.35
IDH1 O75874 2/20 0.34
PLAT P00750 1/20 0.33
CCR4 P51679 1/20 0.33
HAO1 Q9UJM8 3/20 0.32
SHMT1 P34896 1/20 0.32
SHMT2 P34897 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
GRM1 Q13255 1/20 0.31
CYP19A1 P11511 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
CSNK2A3 Q8NEV1 1/20 0.31
FABP4 P15090 2/20 0.30
FABP5 Q01469 2/20 0.30

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
SCHEMBL21144064 0.80 ADORA2A (0.38) CYP2C9
SCHEMBL11904917 0.79 IDH1 (0.38) TYK2IDH1CYP2D6
SCHEMBL2116011 0.76 IDH1 (0.33) TYK2IDH1PLATCCR4SHMT1
SCHEMBL2861979 0.75 CCR4 (0.41) CCR4HAO1CYP1A2CYP2D6CYP2C9
SCHEMBL2118672 0.75 MIF (0.42) CYP2C9
SCHEMBL10157461 0.74 FABP4 (0.36) TYK2IDH1CYP2C9FABP4FABP5
SCHEMBL2871319 0.72 CYP19A1 (0.40) CYP1A2CYP2D6CYP2C9CYP19A1
SCHEMBL10197109 0.71
SCHEMBL2624150 0.70 TYK2 (0.39) TYK2CYP1A2CYP2D6CYP2C9GRM1
Methane SCHEMBL9266827 0.70 CCR4 (0.37) CCR4CYP1A2CYP2D6CYP2C9GRM1

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 TYK2 557/4885IDH1 201/4885PLAT 2841/4885

“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.