SCHEMBL2116014

SCHEMBL2116014

CC(C)Oc1nc(O)cc(O)n1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.34
MAPT P10636 2/20 0.34
PTGS2 P35354 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 1/20 0.32
TLR8 Q9NR97 1/20 0.32
ALDH1A1 P00352 2/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
MCL1 Q07820 1/20 0.30
TSHR P16473 1/20 0.30
GPR84 Q9NQS5 1/20 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
SCHEMBL11798851 0.87 MAPT (0.41) PTGS1MAPTPTGS2LMNA
SCHEMBL5998545 0.81 PTGS1 (0.51) PTGS1PTGS2L3MBTL1LMNATSHR
SCHEMBL11798859 0.78 MEN1 (0.50) PTGS1MAPTPTGS2L3MBTL1ALDH1A1
SCHEMBL2029438 0.76 TP53 (0.33) PTGS1PTGS2L3MBTL1TLR8
SCHEMBL11273992 0.75 PARP10 (0.30)
SCHEMBL11796984 0.75 KDM4E (0.39) MAPTLMNAALDH1A1HPGD
SCHEMBL12871107 0.73 POLB (0.39) PTGS1MAPTPTGS2LMNAHTT
SCHEMBL4270430 0.73 MAPT (0.39) PTGS1MAPTPTGS2L3MBTL1TLR8
SCHEMBL1285445 0.72 LMNA (0.42) MAPTLMNAALDH1A1HPGDHTT
SCHEMBL11443302 0.72 MEN1 (0.39) MAPTHTT

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 PTGS1 1327/4885MAPT 4738/4885PTGS2 825/4885

“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.