SCHEMBL2117199

SCHEMBL2117199

N#CCc1nc(Cl)c(Cl)c(Cl)n1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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 0.78 NPC1 (0.36) KDM4ENPC1HTTRAB9ASMN1; SMN2
SCHEMBL1922451 0.73 HTT (0.33) KDM4ENPC1HTTRAB9ASMN1; SMN2
SCHEMBL2117455 0.67 KMT2A (0.32)
SCHEMBL24108204 0.67 TSHR (0.37) NPC1HTTRAB9ASMN1; SMN2
SCHEMBL17652128 0.67 NPC1 (0.50) NPC1HTTRAB9ASMN1; SMN2
SCHEMBL28892371 0.67 NPC1 (0.32) NPC1HTTRAB9ASMN1; SMN2
SCHEMBL11920281 0.66 HTT (0.40) KDM4EGAANPC1HTTRAB9A
SCHEMBL2117963 0.65
SCHEMBL2116841 0.65 KDM4E (0.40) KDM4EGAANPC1HTTRAB9A
SCHEMBL3678234 0.65 MEN1 (0.39) KDM4ENPC1HTTRAB9ASMN1; SMN2

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 KDM4E 4378/4885GAA 2959/4885NPC1 4790/4885

“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.