SCHEMBL2117948

SCHEMBL2117948

Oc1cc(O)nc(-c2cccc(F)c2)n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.52
KDM4E B2RXH2 2/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
TP53 P04637 1/20 0.46
HSD17B1 P14061 2/20 0.44
HSD17B2 P37059 2/20 0.44
IDO1 P14902 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
DPP4 P27487 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42
HPGDS O60760 1/20 0.41
KMO O15229 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
NOTUM Q6P988 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
SCHEMBL27095783 0.85 TAAR1 (0.56) ESR2KDM4EMEN1MAPTKMT2A
SCHEMBL12958858 0.83 ESR2 (0.47) ESR2KDM4EMEN1MAPTKMT2A
SCHEMBL27095780 0.79 DPP4 (0.57) MEN1MAPTKMT2ATP53IDO1
SCHEMBL25788313 0.79 DPP4 (0.57) MEN1MAPTKMT2ATP53IDO1
SCHEMBL1582720 0.77 RAB9A (0.47) KDM4EMEN1KMT2ASMN1; SMN2DPP4
SCHEMBL12958859 0.77 TRPM8 (0.42) ESR2KDM4EMEN1MAPTKMT2A
SCHEMBL3165362 0.76 MEN1 (0.57) MEN1MAPTKMT2A
SCHEMBL18760499 0.76 MEN1 (0.57) MEN1MAPTKMT2A
SCHEMBL23733840 0.76 TAAR1 (0.57) ESR2MEN1MAPTKMT2ATP53
SCHEMBL670606 0.76 RAB9A (0.61) KDM4EMEN1MAPTKMT2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2489663-A1 Compounds as syk kinase inhibitors Almirall, S.A. (ES) 2012-08-22 EP disclosed
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 ESR2 2601/4885KDM4E 4378/4885MEN1 4481/4885

“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.