SCHEMBL16803712

SCHEMBL16803712

CCS(=O)(=O)c1cc(C(F)(F)F)ncc1-c1nc2cc(C)cnc2n1C

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PTGS2 P35354 7/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ S1PR1 P21453 2/20 0.32
▸ DDR1 Q08345 2/20 0.32
▸ BRD4 O60885 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ EGLN1 Q9GZT9 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31
▸ PTGS1 P23219 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
SCHEMBL16804794 0.90 POLB (0.45) USP1POLBPTGS2DDR1KCNH2
SCHEMBL15426413 0.84 DDR1 (0.41) POLBS1PR1DDR1
SCHEMBL16803689 0.82 LMNA (0.35) USP1POLBPTGS2CNR2LMNA
SCHEMBL15426384 0.80 RORC (0.37) LMNADDR1BRD4
SCHEMBL16746510 0.79 DDR1 (0.39) POLBCNR2DDR1
SCHEMBL16803708 0.79 POLB (0.38) POLBBRD4
SCHEMBL16803686 0.79 PDE10A (0.38) POLBLMNASMN1; SMN2DDR1BRD4
SCHEMBL16604841 0.78 BRD4 (0.34) BRD4
SCHEMBL15412773 0.78 BRD4 (0.40) USP1BRD4
SCHEMBL15868290 0.78 POLB (0.44) POLBS1PR1DDR1BRD4EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150166573-A1 FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-06-18 — — US 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 USP1 1355/4885POLB 4183/4885PTGS2 1853/4885
US-20150166573-A1 FUSED HETEROCYCLIC COMPOUND NR4A1, NR2E1, NR0B2 USP1 1856/4885POLB 3690/4885PTGS2 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.

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