SCHEMBL7910087

SCHEMBL7910087

Cc1cc(C#N)c(C)c(C(=O)Nc2ccc(F)cn2)n1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.53
CYP1A2 P05177 2/20 0.48
CYP2C9 P11712 2/20 0.48
KCNH2 Q12809 1/20 0.48
CYP3A4 P08684 1/20 0.47
SLC6A3 Q01959 1/20 0.47

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
SCHEMBL7910099 0.88 RAB9A (0.48) GRM5
SCHEMBL7910093 0.87 TMPRSS4 (0.49) GRM5
SCHEMBL7910092 0.86 RAB9A (0.50) GRM5CYP1A2CYP2C9CYP3A4
SCHEMBL7900421 0.82 GRM5 (0.48) GRM5
SCHEMBL13148101 0.79 GRM5 (0.53) GRM5CYP1A2CYP2C9KCNH2CYP3A4
SCHEMBL7903362 0.78 GRM5 (0.66) GRM5CYP1A2CYP2C9KCNH2CYP3A4
SCHEMBL3793552 0.75 GRM5 (0.58) GRM5KCNH2
SCHEMBL13148116 0.72 TMPRSS4 (0.46) GRM5
SCHEMBL7904776 0.72 GRM5 (0.72) GRM5CYP1A2CYP2C9KCNH2CYP3A4
SCHEMBL7897358 0.71 GRM5 (0.70) GRM5CYP1A2CYP2C9KCNH2CYP3A4

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 GRM5 6/4885CYP1A2 1276/4885CYP2C9 2027/4885

“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.