SCHEMBL9914987

SCHEMBL9914987

CC[S+]([O-])c1cncnc1-c1nc2cc(C(F)(F)F)ccc2n1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 1/20 0.35
HTR2B P41595 1/20 0.35
HTR6 P50406 1/20 0.35
KIT P10721 2/20 0.34
CNR2 P34972 4/20 0.34
CNR1 P21554 1/20 0.33
GRM2 Q14416 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
BRAF P15056 4/20 0.32
CYP3A4 P08684 4/20 0.32
STK25 O00506 1/20 0.32
CIT O14578 1/20 0.32
EPHB6 O15197 1/20 0.32
MAP3K7 O43318 1/20 0.32
RIPK2 O43353 1/20 0.32
PAK3 O75914 1/20 0.32
STK10 O94804 1/20 0.32
MAP4K4 O95819 1/20 0.32

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
SCHEMBL14678192 0.88 AGPAT2 (0.36) AGPAT2HTR2BHTR6KITCNR2
SCHEMBL15275089 0.86 KDM4E (0.37) AGPAT2FGFR1KDM4ETP53TSHR
SCHEMBL9914979 0.84 POLB (0.42) CYP3A4CYP1A2TSHRMEN1KMT2A
SCHEMBL14684635 0.84 HTR2B (0.38) AGPAT2HTR2BHTR6KITCNR2
SCHEMBL29431625 0.84 HTR2B (0.38) AGPAT2HTR2BHTR6KITCNR2
SCHEMBL15868318 0.83 TYK2 (0.36) AGPAT2HTR2BHTR6KITCNR2
SCHEMBL167348 0.82 PDE10A (0.40) AGPAT2HTR2BHTR6KITCNR2
SCHEMBL14677498 0.82 AGPAT2 (0.33) AGPAT2HTR2BHTR6KITCNR2
SCHEMBL19664210 0.82 GRM2 (0.38) AGPAT2HTR2BHTR6GRM2PIK3CA
SCHEMBL15868314 0.80 ACSS2 (0.36) AGPAT2KITGRM2PIK3CAPIK3CB

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
EP-2646433-B1 PYRIMIDINE COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL CO (JP) 2015-08-12 EP disclosed
US-9089136-B2 Pyrimidine compound and use thereof for pest control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-28 US disclosed
US-20130252981-A1 PYRIMIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-09-26 US disclosed
WO-2012074135-A1 PYRIMIDINE COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-07 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-20130252981-A1 PYRIMIDINE COMPOUND AND USE THEREOF FOR PEST CONTROL ZCCHC8, RRS1, HRH4 AGPAT2 3927/4885HTR2B 2655/4885HTR6 2485/4885

“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.