SCHEMBL20465862

SCHEMBL20465862

CCS(=O)(=O)c1ccc(-n2ccnn2)nc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.34
▸ DDR1 Q08345 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HCRTR1 O43613 1/20 0.30
▸ KCNH2 Q12809 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
SCHEMBL17949386 0.88 PDE10A (0.35) DDR1CNR2KCNH2
SCHEMBL21020024 0.85 DDR1 (0.33) DDR1CNR2NPC1RAB9AKCNH2
SCHEMBL20465863 0.85 — —
SCHEMBL18015922 0.85 PDE10A (0.35) DDR1CNR2KCNH2
SCHEMBL17949562 0.84 SMN1; SMN2 (0.32) DDR1CNR2NPC1RAB9AKCNH2
SCHEMBL17949520 0.83 DDR1 (0.35) DDR1
SCHEMBL21020026 0.83 KCNH2 (0.33) DDR1CNR2NPC1RAB9AKCNH2
SCHEMBL18013264 0.82 CNR2 (0.35) DDR1CNR2NPC1RAB9AKCNH2
SCHEMBL31534714 0.82 CNR2 (0.35) DDR1CNR2NPC1RAB9AKCNH2
SCHEMBL17967726 0.82 CNR2 (0.35) DDR1CNR2NPC1RAB9AKCNH2

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-10772332-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides BAYER AKTIENGESELLSCHAFT (DE) 2020-09-15 — — US disclosed
US-20200236940-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2020-07-30 — — US disclosed
WO-2018141954-A1 ARYL OR HETEROARYL-SUBSTITUTED IMIDAZO PYRIDINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2018-08-09 — — 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 (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-10772332-B2 2-(het)aryl-substituted fused heterocycle derivatives as pesticides CYP4X1, CYP1A1, CYP1A2 PTGER4 210/4885DDR1 2858/4885CNR2 174/4885
US-20200236940-A1 2-(HET)ARYL-SUBSTITUTED FUSED HETEROCYCLE DERIVATIVES AS PESTICIDES CYP4X1, CYP1A1, CYP1A2 PTGER4 210/4885DDR1 2858/4885CNR2 174/4885

“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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