SCHEMBL3922571

SCHEMBL3922571

Cc1c(Br)cccc1-n1cc(-c2ccccn2)cn1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.48
PDE10A Q9Y233 3/20 0.46
FLT3 P36888 1/20 0.41
GSK3B P49841 1/20 0.41
DYRK1B Q9Y463 3/20 0.40
GRM4 Q14833 2/20 0.39
KDR P35968 1/20 0.39
IRAK4 Q9NWZ3 2/20 0.38
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
PIM2 Q9P1W9 1/20 0.36
JAK2 O60674 1/20 0.36
CYP2A6 P11509 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
SCHEMBL8357647 0.85 GRM5 (0.49) GRM5PDE10AFLT3GSK3BDYRK1B
SCHEMBL5215386 0.85 PDE10A (0.47) GRM5PDE10ADYRK1BGRM4JAK2
SCHEMBL5219705 0.78 JAK2 (0.47) GRM5PDE10AFLT3GSK3BDYRK1B
SCHEMBL3928550 0.77 GRM5 (0.51) GRM5PDE10ADYRK1BGRM4KDR
SCHEMBL14381068 0.76 GRM5 (0.50) GRM5PDE10AFLT3GSK3BDYRK1B
SCHEMBL3920079 0.76 GRM5 (0.53) GRM5PDE10AFLT3GSK3BDYRK1B
SCHEMBL30796033 0.76 GRM5 (0.53) GRM5PDE10AFLT3GSK3BDYRK1B
SCHEMBL5219720 0.76 MAPT (0.42) DYRK1BGRM4JAK2
SCHEMBL5215794 0.76 GRM5 (0.50) GRM5PDE10ADYRK1BGRM4KDR
SCHEMBL3922446 0.75 GRM5 (0.56) GRM5PDE10AFLT3GSK3BGRM4

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 6 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

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 1/4885PDE10A 964/4885FLT3 1801/4885

“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.