SCHEMBL3868020

SCHEMBL3868020

CSc1ncc(Br)nc1C(=O)Nc1ccccn1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.69
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
MITF O75030 1/20 0.49
HIF1A Q16665 1/20 0.47
ATR Q13535 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL3861333 0.82 GRM5 (1.00) GRM5NPC1RAB9AMITFATR
SCHEMBL3868074 0.77 GRM5 (0.75) GRM5NPC1RAB9AATRKMT2A
SCHEMBL3861307 0.71 L3MBTL1 (0.43) GRM5RAB9AATRKMT2AMEN1
SCHEMBL3870528 0.70 GRM5 (1.00) GRM5NPC1RAB9AATR
SCHEMBL31060490 0.70 GRM5 (1.00) GRM5NPC1RAB9AATR
SCHEMBL8283077 0.69 GRM5 (0.78) GRM5NPC1RAB9AATR
SCHEMBL3863370 0.69 GRM5 (0.71) GRM5NPC1RAB9AATRALDH1A1
SCHEMBL21579348 0.69 NPC1 (0.62) GRM5NPC1RAB9AMITFKMT2A
SCHEMBL3861147 0.69 GRM5 (0.81) GRM5RAB9AATRKMT2AALDH1A1
SCHEMBL3859292 0.69 GRM5 (0.65) GRM5NPC1RAB9AMITFKMT2A

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.