SCHEMBL21641516

SCHEMBL21641516

CCS(=O)(=O)c1cc(F)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
DDR1 Q08345 7/20 0.35
LRRK2 Q5S007 1/20 0.32
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 2/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
GLA P06280 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
S1PR1 P21453 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
CRHR1 P34998 1/20 0.31
AGBL2 Q5U5Z8 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
SCHEMBL29360277 0.93 POLB (0.48) POLBDDR1LRRK2ALOX5APFEN1
SCHEMBL14684583 0.93 POLB (0.48) POLBDDR1LRRK2ALOX5APFEN1
SCHEMBL15868301 0.90 POLB (0.46) POLBDDR1LRRK2ALOX5APFEN1
SCHEMBL20182758 0.89 POLB (0.44) POLBDDR1ALOX5APFEN1MEN1
SCHEMBL16376050 0.88 POLB (0.45) POLBDDR1LRRK2ALOX5APFEN1
SCHEMBL21641644 0.88 POLB (0.45) POLBDDR1LRRK2MEN1ALDH1A1
SCHEMBL29431660 0.88 POLB (0.45) POLBDDR1LRRK2ALOX5APFEN1
SCHEMBL14684615 0.88 POLB (0.45) POLBDDR1LRRK2ALOX5APFEN1
SCHEMBL29431643 0.88 POLB (0.45) POLBDDR1LRRK2ALOX5APFEN1
SCHEMBL14677420 0.88 POLB (0.45) POLBDDR1LRRK2ALOX5APFEN1

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
CN-110461834-B Condensed heterocyclic compound and composition containing same 住友化学株式会社 2024-03-12 CN disclosed
EP-3604300-B1 FUSED HETEROCYCLIC COMPOUND AND COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL CO (JP) 2022-06-01 EP disclosed
US-10934287-B2 Fused heterocyclic compound and composition containing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-03-02 US disclosed
US-20200071320-A1 FUSED HETEROCYCLIC COMPOUND AND COMPOSITION CONTAINING SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-03-05 US disclosed
EP-3604300-A1 FUSED HETEROCYCLIC COMPOUND AND COMPOSITION CONTAINING SAME Sumitomo Chemical Company, Limited (JP) 2020-02-05 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-10934287-B2 Fused heterocyclic compound and composition containing same SDHA, SDHB, CYP4X1 POLB 3682/4885DDR1 4814/4885LRRK2 1352/4885
US-20200071320-A1 FUSED HETEROCYCLIC COMPOUND AND COMPOSITION CONTAINING SAME SDHA, SDHB, CYP4X1 POLB 3682/4885DDR1 4814/4885LRRK2 1352/4885

“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.