SCHEMBL7907942

SCHEMBL7907942

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.45
GRM5 P41594 6/20 0.44
LRRK2 Q5S007 1/20 0.43
BACE1 P56817 4/20 0.42
KCNH2 Q12809 1/20 0.42
APP P05067 3/20 0.41
BACE2 Q9Y5Z0 3/20 0.41

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
SCHEMBL7907191 0.86 HSD11B1 (0.42) HSD11B1GRM5BACE1KCNH2APP
SCHEMBL7903362 0.82 GRM5 (0.66) GRM5KCNH2
SCHEMBL7906315 0.81 NPC1 (0.56) GRM5LRRK2BACE1KCNH2BACE2
SCHEMBL7904772 0.81 GRM5 (0.46) GRM5KCNH2
SCHEMBL7899803 0.81 GRM5 (0.67) GRM5
SCHEMBL7909378 0.81 LRRK2 (0.52) GRM5LRRK2BACE1KCNH2BACE2
SCHEMBL7909685 0.81 CYP3A4 (0.59) GRM5
SCHEMBL7904713 0.80 TMPRSS4 (0.55) GRM5BACE1KCNH2
SCHEMBL7900427 0.80 KMT2A (0.54) LRRK2
SCHEMBL13148059 0.79 GRM5 (0.45) GRM5KCNH2

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 2 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

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 HSD11B1 4419/4885GRM5 6/4885LRRK2 1918/4885

“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.