SCHEMBL16612238

SCHEMBL16612238

CCS(=O)(=O)c1nccnc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
AGBL2 Q5U5Z8 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.32
S1PR1 P21453 1/20 0.32
LRRK2 Q5S007 1/20 0.32
GRIN1 Q05586 2/20 0.31
GRIN2B Q13224 2/20 0.31
PTGS2 P35354 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31
RORC P51449 1/20 0.31
PKM P14618 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DDR1 Q08345 1/20 0.30

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
SCHEMBL21925155 0.87 POLB (0.45) POLBAGBL2KDM4EALDH1A1S1PR1
SCHEMBL16803702 0.85 BRD4 (0.34) POLB
SCHEMBL16389535 0.85 POLB (0.45) POLBAGBL2ALDH1A1S1PR1KMT2A
SCHEMBL29360277 0.84 POLB (0.48) POLBAGBL2ALDH1A1S1PR1LRRK2
SCHEMBL14684583 0.84 POLB (0.48) POLBAGBL2ALDH1A1S1PR1LRRK2
SCHEMBL16612282 0.84 POLB (0.45) POLBKDM4EALDH1A1GRIN1GRIN2B
SCHEMBL14677002 0.84 POLB (0.45) POLBKDM4EALDH1A1GRIN1GRIN2B
SCHEMBL29431647 0.84 POLB (0.45) POLBKDM4EALDH1A1GRIN1GRIN2B
SCHEMBL9914983 0.83 POLB (0.45) POLBALDH1A1S1PR1LRRK2GRIN1
SCHEMBL16613191 0.83 POLB (0.45) POLBAGBL2KDM4EALDH1A1S1PR1

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 4183/4885AGBL2 3838/4885KDM4E 3966/4885
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR2E1, NR0B2 POLB 3690/4885AGBL2 4292/4885KDM4E 3834/4885

“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.