SCHEMBL3860907

SCHEMBL3860907

CCCCc1cnc(N)c(C(=O)Nc2ccccn2)n1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 0.65
ATR Q13535 3/20 0.56
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALOX12 P18054 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL3859420 0.88 GRM5 (0.71) GRM5ATR
SCHEMBL31060490 0.79 GRM5 (1.00) GRM5ATR
SCHEMBL3870528 0.79 GRM5 (1.00) GRM5ATR
SCHEMBL8283077 0.79 GRM5 (0.78) GRM5ATR
SCHEMBL3861333 0.78 GRM5 (1.00) GRM5ATR
SCHEMBL3865152 0.77 GRM5 (1.00) GRM5ATRKMT2A
Hydrochloric Acid SCHEMBL31277594 0.75 NPC1 (0.51) GRM5HTTSMN1; SMN2ALOX12
Hydrochloric Acid SCHEMBL31277967 0.75 SMN1; SMN2 (0.53) GRM5HTTSMN1; SMN2ALOX12MEN1
SCHEMBL3861278 0.75 ATR (0.84) GRM5ATR
SCHEMBL3860802 0.75 GABRP (0.46) MEN1KMT2A

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 1/4885ATR 3153/4885HTT 1894/4885

“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.