SCHEMBL7904772

SCHEMBL7904772

Cc1cc(Br)cc(C(=O)Nc2ccc(F)c(C)n2)n1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
KMT2A Q03164 2/20 0.44
SORT1 Q99523 1/20 0.43
MAPT P10636 1/20 0.43
CYP1A2 P05177 5/20 0.43
CYP2C9 P11712 5/20 0.43
CYP3A4 P08684 3/20 0.43
KCNH2 Q12809 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL13148059 0.82 GRM5 (0.45) GRM5CYP1A2CYP2C9CYP3A4KCNH2
SCHEMBL7907942 0.81 HSD11B1 (0.45) GRM5KCNH2
SCHEMBL7897358 0.81 GRM5 (0.70) GRM5CYP1A2CYP2C9CYP3A4KCNH2
SCHEMBL1795107 0.80 GRM5 (0.70) GRM5NPC1RAB9AKMT2ASORT1
SCHEMBL1795941 0.79 CYP3A4 (0.63) GRM5NPC1RAB9AKMT2ASORT1
SCHEMBL1797017 0.77 SORT1 (0.56) GRM5NPC1RAB9AKMT2ASORT1
SCHEMBL1797770 0.77 SORT1 (0.58) GRM5NPC1RAB9AKMT2ASORT1
SCHEMBL15890663 0.76 CYP1A2 (0.58) GRM5CYP1A2CYP2C9CYP3A4KCNH2
SCHEMBL15890669 0.75 CYP1A2 (0.76) GRM5CYP1A2CYP2C9CYP3A4KCNH2
SCHEMBL15443995 0.74 BRD4 (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010100050-A1 PYRIDINE-2-YL-CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed
US-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-09 US disclosed
US-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-09-09 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-20100227887-A1 PYRIDINE-2-YL CARBOXYLIC ACID AMIDES GRM2, GRM1, GRM3 GRM5 6/4885NPC1 4161/4885RAB9A 2626/4885

“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.