SCHEMBL5215503

SCHEMBL5215503

Cc1cc(-c2cnn(-c3cccc(OCc4ccccc4)c3)c2)nc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 7/20 0.53
MKNK1 Q9BUB5 6/20 0.50
MAPT P10636 1/20 0.48
MIF P14174 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
RIPK2 O43353 1/20 0.41
ALKBH1 Q13686 1/20 0.41
HTR2B P41595 1/20 0.41
MTNR1A P48039 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRM2 Q14416 1/20 0.41
AHR P35869 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
SCHEMBL5218689 0.85 MKNK1 (0.44) GRM4MKNK1MAPTMIFHTR2B
SCHEMBL5218314 0.85 GRM4 (0.54) GRM4MKNK1MAPTEGLN1MKNK2
SCHEMBL5220141 0.82 ACP1 (0.45) GRM4MKNK1MAPTMIFHTR2B
SCHEMBL5219139 0.81 MIF (0.48) GRM4MAPTMIFHTR2BMTNR1A
SCHEMBL5215762 0.80 AHR (0.49) GRM4MAPTMIFHTR2BMTNR1A
SCHEMBL5215415 0.79 GRM2 (0.43) GRM4MKNK1MAPTMIFHTR2B
SCHEMBL5215869 0.78 AHR (0.48) GRM4MAPTMIFHTR2BMTNR1A
SCHEMBL18617584 0.78 GRM4 (0.51) GRM4MKNK1ALKBH1
SCHEMBL5217889 0.77 MAPT (0.47) GRM4MAPTMIFHTR2BMTNR1A
SCHEMBL5219398 0.76 GRM4 (0.52) GRM4MKNK1MAPTEGLN1ALKBH1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458383-B1 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2007-11-21 EP claimed
US-20050026963-A1 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME LLC 2005-02-03 US claimed
WO-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 WO claimed
US-7569592-B2 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-7569592-B2 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2009-08-04 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-20050026963-A1 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRIN2C GRM4 8/4885MKNK1 893/4885MAPT 2547/4885

“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.