SCHEMBL2117961

SCHEMBL2117961

CN(C)C(=O)Cc1nc(O)cc(O)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.40
HSD17B10 Q99714 2/20 0.38
HTT P42858 1/20 0.37
NR4A2 P43354 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
PCNA P12004 1/20 0.34
POLB P06746 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
ALB P02768 1/20 0.33
CYP3A4 P08684 1/20 0.33
CHRM1 P11229 1/20 0.33
HPGD P15428 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA3 P34903 1/20 0.33
ADRA1A P35348 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
SCHEMBL1923422 0.72 HTT (0.61) HSD17B10HTTPOLBKDM4ELMNA
SCHEMBL2115894 0.72 GAA (0.36) GAAHSD17B10HTTNR4A2SMN1; SMN2
SCHEMBL1483401 0.71 KDM4E (0.41) HSD17B10NR4A2SMN1; SMN2KDM4EHPGD
SCHEMBL2117677 0.70 ALDH1A1 (0.44) GAAHSD17B10HTTPOLBKDM4E
SCHEMBL25680862 0.68 GABRA1 (0.36) GAAHSD17B10HTTNR4A2GABRA1
SCHEMBL10004688 0.66 GPR84 (0.34) SMN1; SMN2LMNA
SCHEMBL11526178 0.64 GAA (0.33) GAANR4A2
SCHEMBL24802543 0.63 GAA (0.39) GAAHSD17B10NR4A2GABRA1GABRB2
SCHEMBL8055597 0.63 MEN1 (0.44) GAAHSD17B10SMN1; SMN2POLBGABRB2
SCHEMBL3110988 0.63 ACHE (0.33) KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GAA 2959/4885HSD17B10 1580/4885HTT 1214/4885

“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.