SCHEMBL23353557

SCHEMBL23353557

CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc(-c2ccc(C3CC3)s2)n1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.39
▸ GRIN1 Q05586 8/20 0.37
▸ GRIN2B Q13224 8/20 0.37
▸ DRD2 P14416 1/20 0.33
▸ DRD4 P21917 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ GRM2 Q14416 1/20 0.33
▸ SLC6A9 P48067 2/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.31
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 1/20 0.30
▸ SCN10A Q9Y5Y9 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ LMNA P02545 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
SCHEMBL23353563 0.85 POLB (0.40) POLBGRIN1GRIN2BCYP2D6MEN1
SCHEMBL20386921 0.84 POLB (0.43) POLBDRD2DRD4DRD3GRM2
SCHEMBL23353561 0.84 POLB (0.40) POLBGRIN1GRIN2BDRD2DRD4
SCHEMBL23353562 0.83 POLB (0.41) POLBMEN1KMT2AALDH1A1
SCHEMBL21610548 0.83 POLB (0.36) POLBGRIN1GRIN2BDRD2DRD4
SCHEMBL23353832 0.82 POLB (0.39) POLBGRIN1GRIN2BGPR119
SCHEMBL18737471 0.79 POLB (0.38) POLBDRD2DRD4DRD3GRM2
SCHEMBL19888417 0.79 POLB (0.39) POLB
SCHEMBL21609570 0.79 POLB (0.38) POLBDRD2DRD3
SCHEMBL23353550 0.78 POLB (0.39) POLBDRD2DRD4DRD3GRM2

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 POLB 4632/4885GRIN1 1001/4885GRIN2B 1943/4885

“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.

Send feedback