SCHEMBL22613601

SCHEMBL22613601

COc1ccc(Cn2nc(-c3cccc(Cl)c3)cc2CBr)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
TP53 P04637 3/20 0.44
KDR P35968 1/20 0.43
EPHB4 P54760 1/20 0.43
TEK Q02763 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
POLB P06746 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 1/20 0.41
STAT3 P40763 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPBWR1 P48145 1/20 0.40
HDAC1 Q13547 1/20 0.40
F2RL3 Q96RI0 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
SCHEMBL22613652 0.89 MAPT (0.44) MAPTTP53KDREPHB4TEK
SCHEMBL20600063 0.85 MAPT (0.45) MAPTTP53KDREPHB4TEK
SCHEMBL20600263 0.84 NPC1 (0.46) MAPTTP53SMN1; SMN2MEN1KMT2A
SCHEMBL22613626 0.84 PTGDR (0.48) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL29915324 0.82 MAPT (0.43) MAPTTP53KDREPHB4TEK
SCHEMBL13425858 0.81 MEN1 (0.54) MAPTTP53SMN1; SMN2POLBMEN1
SCHEMBL20600076 0.79 MAPK14 (0.46) MAPTSMN1; SMN2
SCHEMBL4681912 0.78 NPBWR1 (0.48) MAPTTP53KDRTEKSMN1; SMN2
SCHEMBL14290243 0.78 GCGR (0.49) MAPTSMN1; SMN2HDAC1
SCHEMBL29915428 0.75 SLC16A3 (0.48) MAPTTP53

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 MAPT 361/4885TP53 4499/4885KDR 3892/4885
US-11440922-B2 Heterocyclylmethylidene derivatives and their use as modulators of mGluR5 receptors GRM5, GRIK5, GRM2 MAPT 361/4885TP53 4499/4885KDR 3892/4885

“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.