SCHEMBL2117677

SCHEMBL2117677

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
G6PD P11413 1/20 0.44
PABPC1 P11940 1/20 0.44
KMT2A Q03164 1/20 0.44
HKDC1 Q2TB90 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
GSR P00390 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL2117968 0.76 HDAC1 (0.36) TSHRGSR
SCHEMBL20340696 0.74 KDM4E (0.53) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL21025691 0.73 HTT (0.43) ALDH1A1KDM4EGAAMAPTTDP1
SCHEMBL10004688 0.72 GPR84 (0.34) TSHRLMNA
SCHEMBL2117961 0.70 GAA (0.40) KDM4EGAAMAPTMEN1POLB
SCHEMBL3110988 0.69 ACHE (0.33) ALDH1A1KDM4E
SCHEMBL2116081 0.69 MMP1 (0.47) ALDH1A1MAPTMEN1KMT2AL3MBTL1
SCHEMBL10429473 0.68 GPR84 (0.39) KDM4EL3MBTL1LMNACNR2
SCHEMBL16474216 0.67 MAPT (0.50) MAPTTDP1
SCHEMBL2117891 0.67

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 ALDH1A1 2454/4885KDM4E 4378/4885GAA 2959/4885

“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.