SCHEMBL2117451

SCHEMBL2117451

N#CCc1nc(O)cc(O)n1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
DUSP3 P51452 1/20 0.32
PTPN5 P54829 1/20 0.32
PTPN11 Q06124 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MMP3 P08254 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ESR2 Q92731 2/20 0.32
ALDH1A1 P00352 1/20 0.31
ENPP2 Q13822 1/20 0.31
ESR1 P03372 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
SCHEMBL3672913 0.76 NPC1 (0.36) HTTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3678234 0.73 MEN1 (0.39) HTTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL16492049 0.71 HTT (0.45) HTTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL1922451 0.71 HTT (0.33) HTTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL24108419 0.71 KDM4E (0.34) HTTNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3110988 0.69 ACHE (0.33) KDM4EALDH1A1
SCHEMBL2117025 0.67 MEN1 (0.35) HTTNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL2117891 0.67
SCHEMBL16474216 0.67 MAPT (0.50) MAPTTDP1
SCHEMBL10004688 0.67 GPR84 (0.34) SMN1; SMN2ESR2ESR1

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 HTT 1214/4885NPC1 4790/4885RAB9A 2479/4885

“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.