SCHEMBL16612050

SCHEMBL16612050

CCS(=O)(=O)c1ccncc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
DDR1 Q08345 7/20 0.41
PTGS2 P35354 5/20 0.38
PDE10A Q9Y233 1/20 0.34
PTGS1 P23219 1/20 0.34
CYP17A1 P05093 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
USP1 O94782 1/20 0.33

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
SCHEMBL355701 0.92 POLB (0.45) POLBDDR1PTGS2PDE10APTGS1
SCHEMBL15412012 0.87 POLB (0.46) POLBDDR1PTGS2PTGS1USP1
SCHEMBL16803686 0.86 PDE10A (0.38) POLBDDR1PDE10AGRIN1GRIN2B
SCHEMBL10280701 0.85 POLB (0.46) POLBDDR1
SCHEMBL16804794 0.84 POLB (0.45) POLBDDR1PTGS2PTGS1USP1
SCHEMBL17824504 0.83 POLB (0.45) POLBDDR1PTGS2PTGS1GRIN1
SCHEMBL10280987 0.83 POLB (0.45) POLBDDR1
SCHEMBL20442232 0.83 POLB (0.41) POLBDDR1PTGS2PDE10APTGS1
SCHEMBL20424037 0.83 POLB (0.41) POLBDDR1PTGS2PDE10APTGS1
SCHEMBL116514 0.83 POLB (0.41) POLBPTGS2PDE10APTGS1CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2857397-B1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2020-04-08 EP disclosed
US-9364000-B2 Method of controlling pests with fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-14 US disclosed
US-9364000-B2 Method of controlling pests with fused heterocyclic compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-06-14 US disclosed
US-20150373982-A1 METHOD OF CONTROLLING PESTS WITH FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-12-31 US disclosed
US-20150373982-A1 METHOD OF CONTROLLING PESTS WITH FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL CO (JP) 2015-12-31 US disclosed
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-18 US disclosed
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-18 US disclosed
EP-2857397-A1 FUSED HETEROCYCLIC COMPOUND Sumitomo Chemical Company Limited (JP) 2015-04-08 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 (2 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-20150373982-A1 METHOD OF CONTROLLING PESTS WITH FUSED HETEROCYCLIC COMPOUND NR4A1, NR2E1, NR0B1 POLB 4183/4885DDR1 3233/4885PTGS2 1853/4885
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR2E1, NR0B2 POLB 3690/4885DDR1 3287/4885PTGS2 1743/4885

“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.