SCHEMBL22613626

SCHEMBL22613626

COc1ccc(Cn2nc(-c3cccc(C#N)c3)cc2CBr)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.48
CLK4 Q9HAZ1 3/20 0.45
DYRK1A Q13627 1/20 0.45
MET P08581 4/20 0.43
NQO2 P16083 1/20 0.42
USP2 O75604 4/20 0.41
CYP3A4 P08684 4/20 0.41
ALDH1A1 P00352 4/20 0.41
TSHR P16473 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 2/20 0.41
LMNA P02545 1/20 0.41
CASP1 P29466 1/20 0.41
HIF1A Q16665 1/20 0.41
MAPT P10636 3/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL22613713 0.90 PTGDR (0.48) PTGDRCLK4DYRK1AMETNQO2
SCHEMBL20600251 0.86 PTGDR (0.44) PTGDRCLK4DYRK1AMETNQO2
SCHEMBL22613601 0.84 MAPT (0.44) LMNAMAPTMEN1HTTKMT2A
SCHEMBL29915468 0.83 PTGDR (0.42) PTGDRCLK4DYRK1AMETNQO2
SCHEMBL20600263 0.80 NPC1 (0.46) ALDH1A1LMNAMAPTMEN1HTT
SCHEMBL20600028 0.79 MAPT (0.69) PTGDRALDH1A1TSHRLMNAMAPT
SCHEMBL13425858 0.78 MEN1 (0.54) CYP3A4CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL22613701 0.78 SLC16A3 (0.48) PTGDRCLK4DYRK1AUSP2CYP3A4
SCHEMBL20600076 0.75 MAPK14 (0.46) CYP3A4ALDH1A1CYP1A2CYP2C19CYP2D6
SCHEMBL14290243 0.74 GCGR (0.49) MAPTSMN1; SMN2

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-11440922-B2 Heterocyclylmethylidene derivatives and their use as modulators of mGluR5 receptors Recordati Industria Chimica e Farmacentica S.p.A. (IT) 2022-09-13 US disclosed
US-20200347078-A1 HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS RECORDATI INDUSTRIA CHIMICA E FARMACEUTICA S.P.A. (IT) 2020-11-05 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-20200347078-A1 HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS GRM5, GRIK5, GRM2 PTGDR 124/4885CLK4 4340/4885DYRK1A 3437/4885
US-11440922-B2 Heterocyclylmethylidene derivatives and their use as modulators of mGluR5 receptors GRM5, GRIK5, GRM2 PTGDR 124/4885CLK4 4340/4885DYRK1A 3437/4885

“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.