SCHEMBL23353526

SCHEMBL23353526

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)C(F)(F)F)cnc3n2C)nc(-c2cnn(-c3cccc(C#N)c3)c2)n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.39
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ CYP1A2 P05177 3/20 0.34
▸ CASP1 P29466 3/20 0.34
▸ CASP7 P55210 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ USP2 O75604 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ GLA P06280 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ GRM4 Q14833 1/20 0.32
▸ SDHB P21912 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ S1PR1 P21453 1/20 0.31

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
SCHEMBL23351416 0.86 BRD4 (0.40) POLB
SCHEMBL23353700 0.86 GRM4 (0.33) MEN1KMT2ACYP1A2CASP1CASP7
SCHEMBL23353745 0.83 POLB (0.33) POLB
SCHEMBL23353748 0.78 CCNE1 (0.35) METPOLBCDK1CDK4CCNB1
SCHEMBL23353553 0.77 PIK3CD (0.33) POLB
SCHEMBL23353551 0.76 ALDH1A1 (0.34) CYP1A2ALDH1A1KCNH2POLB
SCHEMBL23353758 0.75 POLB (0.32) POLB
SCHEMBL23353746 0.73 DGAT1 (0.36) KCNH2POLB
SCHEMBL23353547 0.72 POLB (0.40) METPOLBCDK1CDK4CCNB1
SCHEMBL16667196 0.72 POLB (0.40) KCNH2POLB

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 GRM5 2576/4885MEN1 1464/4885KMT2A 2759/4885

“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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