SCHEMBL29637976

SCHEMBL29637976

CCSc1c(-c2nc3cc(C(F)(F)F)cnc3n2C)ncc2cc(C3(C#N)CC3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ TRPM8 Q7Z2W7 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
SCHEMBL24576633 1.00 POLB (0.39) POLBPDE10ALRRK2CYP1A2TRPM8
SCHEMBL24576621 0.85 POLB (0.36) POLBCYP1A2TRPM8
SCHEMBL31659089 0.85 POLB (0.36) POLBCYP1A2TRPM8
SCHEMBL25106938 0.84 POLB (0.45) POLBPDE10A
SCHEMBL24576634 0.83 POLB (0.41) POLBPDE10A
SCHEMBL20267583 0.83 POLB (0.42) POLBPDE10ACYP1A2
SCHEMBL30122217 0.83 POLB (0.42) POLBPDE10ACYP1A2
SCHEMBL21586207 0.82 POLB (0.41) POLBPDE10ACYP1A2TRPM8
SCHEMBL24576480 0.82 POLB (0.43) POLBPDE10A
SCHEMBL20628414 0.81 POLB (0.40) POLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12297196-B2 Condensed bicyclic heterocyclic derivatives as pest control agents BAYER AKTIENGESELLSCHAFT (DE) 2025-05-13 — — US disclosed
US-20220204499-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2022-06-30 — — 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-20220204499-A1 CONDENSED BICYCLIC HETEROCYCLIC DERIVATIVES AS PEST CONTROL AGENTS BCHE, C1R, C1S POLB 3145/4885PDE10A 956/4885LRRK2 1647/4885
US-12297196-B2 Condensed bicyclic heterocyclic derivatives as pest control agents BCHE, C1R, C1S POLB 3160/4885PDE10A 1003/4885LRRK2 1661/4885

“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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