SCHEMBL16064947

SCHEMBL16064947

CCSc1cc(C(F)(F)F)ccc1-c1nc2cc(C(F)(F)F)nnc2n1C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DDR1 Q08345 3/20 0.34
▸ PDE2A O00408 12/20 0.34
▸ PDE10A Q9Y233 6/20 0.33
▸ POLB P06746 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ AGPAT2 O15120 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
SCHEMBL17696192 0.92 POLB (0.33) DDR1PDE2APOLBCYP1A2
SCHEMBL17466030 0.90 NPC1 (0.32) POLBHSD11B1
SCHEMBL20482043 0.90 PDE10A (0.31) PDE10A
SCHEMBL25239673 0.88 PDE2A (0.38) PDE2APDE10APOLBHSD11B1
SCHEMBL30436669 0.88 PDE2A (0.38) PDE2APDE10APOLBHSD11B1
SCHEMBL20482313 0.88 PDE2A (0.32) PDE2A
SCHEMBL30490811 0.88 PDE2A (0.32) PDE2A
SCHEMBL19268282 0.88 POLB (0.31) POLB
SCHEMBL29482593 0.84 — —
SCHEMBL24313972 0.84 — —

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-9936703-B2 Condensed heterocyclic compound or salt thereof, agricultural and horticultural insecticide comprising the compound, and method for using the insecticide NIHON NOHYAKU CO., LTD. (JP) 2018-04-10 — — US disclosed
US-20160021886-A1 CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE NIHON NOHYAKU CO., LTD. (JP) 2016-01-28 — — US disclosed
WO-2014142292-A1 FUSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE CONTAINING FUSED HETEROCYCLIC COMPOUND, AND METHOD FOR USING AGRICULTURAL AND HORTICULTURAL INSECTICIDE 日本農薬株式会社 (JP) 2014-09-18 — — 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-20160021886-A1 CONDENSED HETEROCYCLIC COMPOUND OR SALT THEREOF, AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE COMPOUND, AND METHOD FOR USING THE INSECTICIDE H1-0, HDHD5, H1-3 DDR1 3353/4885PDE2A 1937/4885PDE10A 2771/4885

“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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