SCHEMBL19993458

SCHEMBL19993458

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)ncc3n2C)nn2ccc(C)cc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.34
▸ RORC P51449 3/20 0.32
▸ CNR2 P34972 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ S1PR1 P21453 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ MAPK14 Q16539 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
SCHEMBL31121687 0.89 ACSS2 (0.34) KCNH2RORCCNR2NPC1RAB9A
SCHEMBL19993433 0.89 ACSS2 (0.34) KCNH2RORCCNR2NPC1RAB9A
SCHEMBL19993460 0.83 LMNA (0.34) KCNH2RORCCNR2NPC1RAB9A
SCHEMBL19993247 0.82 HTR6 (0.35) KCNH2CNR2NPC1RAB9APTGS2
SCHEMBL21265226 0.82 POLB (0.41) RORCS1PR1
SCHEMBL19993257 0.81 S1PR1 (0.40) KCNH2RORCCNR2NPC1RAB9A
SCHEMBL21264906 0.81 JAK2 (0.37) KCNH2RORC
SCHEMBL19993258 0.81 RORC (0.35) KCNH2RORCCNR2LMNAHTT
SCHEMBL30130684 0.79 KCNH2 (0.33) KCNH2RORCCNR2
SCHEMBL19973846 0.77 HTR6 (0.37) PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3515921-B1 PYRAZOLO[1,5-A]PYRIDINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2021-10-27 — — EP disclosed
US-10611779-B2 Fused bicyclic heterocycle derivatives as pesticides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-04-07 — — US disclosed
US-20190248811-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-08-15 — — US disclosed
WO-2018050825-A1 PYRAZOLO [1,5-A]PYRIDINE DERIVATIVES AND THEIR USE AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-03-22 — — 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-10611779-B2 Fused bicyclic heterocycle derivatives as pesticides DDT, BCHE, ACHE KCNH2 872/4885RORC 3144/4885CNR2 698/4885
US-20190248811-A1 FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, BCHE, ACHE KCNH2 872/4885RORC 3144/4885CNR2 698/4885

“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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