SCHEMBL3920073

SCHEMBL3920073

Fc1ccc(C(F)(F)F)cc1-n1cc(-c2ccccn2)cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.46
GRM4 Q14833 2/20 0.45
DYRK1B Q9Y463 5/20 0.40
CBFB Q13951 1/20 0.40
PDE10A Q9Y233 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TRPV1 Q8NER1 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MET P08581 1/20 0.39
TGFBR1 P36897 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
IRAK4 Q9NWZ3 1/20 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
SCHEMBL30795691 1.00 GRM5 (0.46) GRM5GRM4DYRK1BCBFBPDE10A
SCHEMBL5218069 0.84 DYRK1B (0.40) GRM4DYRK1BPDE10ANPC1RAB9A
SCHEMBL5218477 0.78 GRM4 (0.43) GRM4DYRK1BNPC1RAB9ATRPV1
SCHEMBL5217926 0.77 GRM4 (0.47) GRM4DYRK1BNPC1RAB9AMEN1
SCHEMBL30796007 0.75 GRM5 (0.47) GRM5GRM4DYRK1BPDE10ATGFBR1
SCHEMBL3923521 0.75 GRM5 (0.47) GRM5GRM4DYRK1BPDE10ATGFBR1
SCHEMBL15710165 0.75 GRM5 (0.47) GRM5GRM4DYRK1BPDE10ANPC1
SCHEMBL5217281 0.74 PTPN2 (0.43) GRM4NPC1RAB9ASMN1; SMN2MET
SCHEMBL5216105 0.72 GRM5 (0.47) GRM5GRM4DYRK1BPDE10AIRAK4
SCHEMBL14381068 0.71 GRM5 (0.50) GRM5GRM4DYRK1BPDE10AIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569592-B2 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2009-08-04 US claimed
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
WO-2003051833-A2 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2003-06-26 WO 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 GRM5 1/4885GRM4 8/4885DYRK1B 1802/4885

“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.