SCHEMBL5220967

SCHEMBL5220967

Cc1cc(-c2cnn(-c3nc4ccccc4o3)c2)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.45
MAPT P10636 10/20 0.44
ALDH1A1 P00352 10/20 0.44
KDM4E B2RXH2 10/20 0.44
GAA P10253 4/20 0.44
LMNA P02545 2/20 0.44
NPC1 O15118 2/20 0.44
HCRTR1 O43613 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MIF P14174 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
THRB P10828 2/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 6/20 0.39

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
SCHEMBL5215869 0.81 AHR (0.48) AHRMAPTALDH1A1KDM4EGAA
SCHEMBL5217889 0.79 MAPT (0.47) AHRMAPTALDH1A1KDM4EGAA
SCHEMBL5222461 0.77 AHR (0.42) AHRMAPTALDH1A1KDM4EGAA
SCHEMBL5215256 0.77 HSD17B10 (0.52) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5221390 0.76 MIF (0.47) AHRMAPTALDH1A1KDM4EGAA
SCHEMBL5215762 0.76 AHR (0.49) AHRMAPTALDH1A1KDM4EGAA
SCHEMBL14380692 0.76 MIF (0.47) AHRMAPTALDH1A1KDM4EGAA
SCHEMBL5215780 0.76 MAPT (0.42) AHRMAPTALDH1A1KDM4EGAA
SCHEMBL5219303 0.76 GRM4 (0.44) AHRMAPTALDH1A1KDM4EGAA
SCHEMBL5217836 0.76 ALDH1A1 (0.50) MAPTALDH1A1KDM4ENPC1HCRTR1

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 8 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
EP-1458383-A4 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2005-05-25 EP claimed
US-20050026963-A1 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME LLC 2005-02-03 US claimed
EP-1458383-A2 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2004-09-22 EP claimed
WO-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 WO claimed
WO-2003051833-A2 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2003-06-26 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 AHR 613/4885MAPT 2547/4885ALDH1A1 2988/4885

“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.