SCHEMBL23353700

SCHEMBL23353700

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(-c3ccc(F)cc3)c2)n1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 0.33
▸ CYP1A2 P05177 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ GLA P06280 2/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ HIF1A Q16665 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PTGS2 P35354 3/20 0.33
▸ PTGS1 P23219 3/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ KDM5B Q9UGL1 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
SCHEMBL23353745 0.91 POLB (0.33) POLB
SCHEMBL23353526 0.86 GRM5 (0.39) GRM4CYP1A2HSD17B10MEN1USP2
SCHEMBL23351416 0.83 BRD4 (0.40) POLB
SCHEMBL23353748 0.83 CCNE1 (0.35) POLB
SCHEMBL23353746 0.77 DGAT1 (0.36) POLBPTGS2PTGS1PIK3CD
SCHEMBL23353547 0.76 POLB (0.40) POLB
SCHEMBL16667196 0.76 POLB (0.40) POLBPTGS2
SCHEMBL23353747 0.76 GABRA2 (0.31) —
SCHEMBL23353551 0.75 ALDH1A1 (0.34) CYP1A2ALDH1A1POLB
SCHEMBL30080390 0.75 POLB (0.37) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210139480-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 2021-05-13 — — 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 (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-20210139480-A1 HETEROCYCLE DERIVATIVES AS PESTICIDES DDT, CBR3, CBR1 GRM4 2387/4885CYP1A2 59/4885HSD17B10 851/4885

“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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