SCHEMBL3870458

SCHEMBL3870458

Cc1cncc(C(=O)Nc2ccccn2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 1.00
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55

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
SCHEMBL3862787 0.84 GRM5 (1.00) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL3870512 0.82 GRM5 (0.74) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2465497 0.79 GRM5 (0.67) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL7861675 0.79 GRM5 (0.65) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL9384187 0.78 NPC1 (0.72) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL10151941 0.77 GRM5 (0.61) GRM5ALDH1A1
SCHEMBL3859410 0.77 RAB9A (0.69) GRM5NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL15890685 0.76 CYP1A2 (0.73) GRM5
SCHEMBL30761174 0.76 GRM5 (0.60) GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL31060490 0.75 GRM5 (1.00) GRM5NPC1RAB9A

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
EP-1715867-A4 BIPYRIDYL AMIDES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2009-04-15 EP disclosed
US-20070149547-A1 Bipyridyl amides as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-06-28 US disclosed
US-20070149547-A1 Bipyridyl amides as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-06-28 US disclosed
US-20070149547-A1 Bipyridyl amides as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-06-28 US disclosed
EP-1715867-A1 BIPYRIDYL AMIDES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2006-11-02 EP disclosed
WO-2005079802-A1 BIPYRIDYL AMIDES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2005-09-01 WO disclosed
WO-2005079802-A1 BIPYRIDYL AMIDES AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2005-09-01 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-20070149547-A1 Bipyridyl amides as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GABRA5 GRM5 1/4885NPC1 3248/4885RAB9A 1748/4885

“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.