SCHEMBL7909381

SCHEMBL7909381

Cc1cc(NC(=O)c2cc(C#N)cc(C)n2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.57
SORT1 Q99523 3/20 0.50
SMARCA2 P51531 1/20 0.49
SMARCA4 P51532 1/20 0.49
GRM4 Q14833 1/20 0.48
GRM5 P41594 2/20 0.46
TYK2 P29597 2/20 0.45
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC4 P56524 1/20 0.42
CD38 P28907 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
PPARG P37231 1/20 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
SCHEMBL7911154 0.90 LRRK2 (0.55) LRRK2SORT1SMARCA2SMARCA4GRM4
SCHEMBL7899805 0.89 LRRK2 (0.54) LRRK2GRM4GRM5TYK2HDAC4
SCHEMBL1794776 0.85 LRRK2 (0.47) LRRK2SORT1SMARCA2SMARCA4GRM4
SCHEMBL1795661 0.83 SORT1 (0.46) LRRK2SORT1SMARCA2SMARCA4GRM4
SCHEMBL3101805 0.82 SMN1; SMN2 (0.52) LRRK2GRM4MEN1KMT2ASCN2A
SCHEMBL7913044 0.81 SORT1 (0.58) SORT1SMARCA2SMARCA4GRM4GRM5
SCHEMBL1799079 0.81 GRM5 (0.46) LRRK2SORT1SMARCA2SMARCA4GRM4
SCHEMBL7906315 0.81 NPC1 (0.56) LRRK2GRM4GRM5CD38
SCHEMBL7913781 0.81 ALDH1A1 (0.52) LRRK2GRM4MEN1KMT2A
SCHEMBL7910114 0.81 LRRK2 (0.53) LRRK2GRM5MEN1KMT2A

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 LRRK2 1918/4885SORT1 3239/4885SMARCA2 3982/4885

“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.