SCHEMBL5219720

SCHEMBL5219720

Cc1c(Br)cccc1-n1cc(-c2cc(C)c3ccccc3n2)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
ALDH1A1 P00352 4/20 0.42
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
AHR P35869 1/20 0.41
KDM4E B2RXH2 5/20 0.41
LMNA P02545 4/20 0.41
GAA P10253 4/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HCRTR1 O43613 1/20 0.41
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
MIF P14174 1/20 0.40
PKM P14618 1/20 0.39
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
GRM2 Q14416 1/20 0.37
GRM4 Q14833 3/20 0.37

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
SCHEMBL5215780 0.86 MAPT (0.42) MAPTALDH1A1THRBTDP1AHR
SCHEMBL14380692 0.82 MIF (0.47) MAPTALDH1A1THRBTDP1AHR
SCHEMBL5217889 0.81 MAPT (0.47) MAPTALDH1A1THRBTDP1AHR
SCHEMBL5216505 0.81 AHR (0.42) MAPTALDH1A1THRBTDP1AHR
SCHEMBL5216628 0.81 AHR (0.47) MAPTALDH1A1THRBTDP1AHR
SCHEMBL5220616 0.79 LMNA (0.42) MAPTALDH1A1THRBTDP1AHR
SCHEMBL5219719 0.79 MAPT (0.43) MAPTALDH1A1THRBTDP1AHR
SCHEMBL5220201 0.78 AHR (0.42) MAPTALDH1A1THRBTDP1AHR
SCHEMBL5219303 0.77 GRM4 (0.44) MAPTALDH1A1THRBTDP1AHR
SCHEMBL5215869 0.77 AHR (0.48) MAPTALDH1A1THRBTDP1AHR

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 MAPT 2547/4885ALDH1A1 2988/4885THRB 315/4885

“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.