SCHEMBL22613643

SCHEMBL22613643

COc1ccc(Cn2nc(-c3cccc(C)n3)cc2CP(=O)(O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGER4 P35408 1/20 0.37
LMNA P02545 3/20 0.37
TP53 P04637 2/20 0.37
POLB P06746 1/20 0.36
ADORA2A P29274 1/20 0.36
AKR1C3 P42330 2/20 0.36

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
SCHEMBL29915488 0.88 MAPT (0.42) TGFBR1MAPK14MAPTSMN1; SMN2MEN1
SCHEMBL20600283 0.86 MAPK14 (0.47) TGFBR1MAPK14MAPTSMN1; SMN2MEN1
SCHEMBL20600076 0.85 MAPK14 (0.46) TGFBR1MAPK14MAPTSMN1; SMN2ADORA2A
SCHEMBL20600413 0.83 SLC16A3 (0.41) TGFBR1MAPK14MAPTSMN1; SMN2MEN1
SCHEMBL20600063 0.81 MAPT (0.45) MAPTSMN1; SMN2MEN1KMT2ATP53
SCHEMBL22613710 0.80 MAPT (0.45) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL20600304 0.79 NPC1 (0.42) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL20600251 0.78 PTGDR (0.44) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL20600390 0.77 MAPT (0.69) TGFBR1MAPK14MAPTSMN1; SMN2POLB
SCHEMBL29915313 0.73 MAPT (0.40) TGFBR1MAPK14MAPTSMN1; SMN2MEN1

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-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 (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-20200347078-A1 HETEROCYCLYLMETHYLIDENE DERIVATIVES AND THEIR USE AS MODULATORS OF mGluR5 RECEPTORS GRM5, GRIK5, GRM2 TGFBR1 2248/4885MAPK14 1054/4885MAPT 361/4885

“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.