SCHEMBL17664494

SCHEMBL17664494

CCSc1cc(C(F)(F)F)ccc1-c1ncnc(OC)c1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.34
DDR1 Q08345 2/20 0.33
SCN9A Q15858 8/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
KCNH2 Q12809 1/20 0.31
SCN1A P35498 1/20 0.31
SCN4A P35499 1/20 0.31
SCN5A Q14524 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
ACACB O00763 1/20 0.31
CYP1A2 P05177 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
SCHEMBL19501584 0.85 PTGDR2 (0.37) CRHR1PTGDR2DDR1L3MBTL1
SCHEMBL17664479 0.80 ALOX5AP (0.40) CRHR1SCN9A
SCHEMBL17664488 0.78 PTGDR2 (0.39) CRHR1PTGDR2DDR1SCN9ASCN1A
SCHEMBL17664616 0.76 SCN9A (0.36) CRHR1PTGDR2DDR1SCN9ACYP1A2
SCHEMBL18843178 0.73 DDR1 (0.38) CRHR1PTGDR2DDR1L3MBTL1CYP1A2
Methane SCHEMBL23369618 0.72 DDR1 (0.37) CRHR1PTGDR2DDR1L3MBTL1CYP1A2
SCHEMBL18908785 0.72 LMNA (0.39) CRHR1PTGDR2DDR1CYP1A2
SCHEMBL23369653 0.71 DDR1 (0.36) PTGDR2DDR1L3MBTL1CYP1A2
SCHEMBL19501576 0.69 PTGDR2 (0.40) PTGDR2DDR1L3MBTL1CYP1A2
SCHEMBL23169087 0.68 DDR1 (0.37) PTGDR2DDR1L3MBTL1DRD2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3202762-B1 PYRIMIDINONE COMPOUND SUMITOMO CHEMICAL CO (JP) 2019-06-19 EP disclosed
US-9802930-B1 Pyrimidinone compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-31 US disclosed
US-20170305896-A1 PYRIMIDINONE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-26 US disclosed
EP-3202762-A1 PYRIMIDINONE COMPOUND Sumitomo Chemical Company, Limited (JP) 2017-08-09 EP disclosed
WO-2017090654-A1 PEST CONTROL COMPOSITION AND USE THEREOF 住友化学株式会社 2017-06-01 WO disclosed
WO-2016052247-A1 PYRIMIDINONE COMPOUND 住友化学株式会社 2016-04-07 WO 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-20170305896-A1 PYRIMIDINONE COMPOUND C5, C3AR1, CCR3 CRHR1 1321/4885PTGDR2 1449/4885DDR1 460/4885

“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.