SCHEMBL7899805

SCHEMBL7899805

Cc1cc(C#N)cc(C(=O)Nc2ccnc(F)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.54
GRM4 Q14833 2/20 0.45
PPARG P37231 1/20 0.43
GRM5 P41594 2/20 0.43
TYK2 P29597 3/20 0.43
JAK2 O60674 1/20 0.42
BACE1 P56817 3/20 0.41
HDAC4 P56524 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
KCNH2 Q12809 1/20 0.40
BACE2 Q9Y5Z0 1/20 0.40

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
SCHEMBL7909381 0.89 LRRK2 (0.57) LRRK2GRM4PPARGGRM5TYK2
SCHEMBL7911154 0.87 LRRK2 (0.55) LRRK2GRM4PPARGGRM5TYK2
SCHEMBL7906315 0.83 NPC1 (0.56) LRRK2GRM4GRM5BACE1NPC1
SCHEMBL7910114 0.83 LRRK2 (0.53) LRRK2GRM5NPC1RAB9ASMN1; SMN2
SCHEMBL7909378 0.82 LRRK2 (0.52) LRRK2GRM4GRM5BACE1NPC1
SCHEMBL7913041 0.82 SMN1; SMN2 (0.58) LRRK2GRM4NPC1RAB9ASMN1; SMN2
SCHEMBL7900427 0.81 KMT2A (0.54) LRRK2NPC1RAB9ASMN1; SMN2
SCHEMBL3515207 0.79 TYK2 (0.65) GRM4PPARGTYK2JAK2
SCHEMBL3101805 0.79 SMN1; SMN2 (0.52) LRRK2GRM4NPC1RAB9ASMN1; SMN2
SCHEMBL13148191 0.79 GRM5 (0.43) GRM5HDAC4NPC1RAB9ASMN1; SMN2

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 1918/4885GRM4 7/4885PPARG 177/4885

“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.