SCHEMBL5482017

SCHEMBL5482017

Cc1ccccc1-c1ccnc(N)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
LRRK2 Q5S007 1/20 0.49
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 3/20 0.44
NOS3 P29474 3/20 0.43
NOS2 P35228 3/20 0.43
NOS1 P29475 1/20 0.43
ABL1 P00519 1/20 0.41
ADORA2A P29274 5/20 0.40
ADORA1 P30542 4/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL5483520 0.88 NOS3 (0.44) LMNALRRK2ALDH1A1KDM4EHPGD
SCHEMBL27886224 0.81 MYC (0.40) ALDH1A1KDM4EHPGDHSD17B10ADORA2A
SCHEMBL27886232 0.81 ALDH1A1 (0.53) LRRK2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5480724 0.80 ALDH1A1 (0.56) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3205196 0.78 ALDH1A1 (0.59) LMNAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11901140 0.78 NOS2 (0.55) LMNALRRK2HSD17B10NOS3NOS2
SCHEMBL1261198 0.77 NOS2 (0.54) LMNALRRK2ALDH1A1KDM4EHPGD
SCHEMBL5482010 0.76 LMNA (0.56) LMNALRRK2ALDH1A1KDM4EHPGD
SCHEMBL29993462 0.76 LMNA (0.51) LMNALRRK2ALDH1A1KDM4EHPGD
SCHEMBL5483595 0.74 ALDH1A1 (0.45) LMNAALDH1A1KDM4EHPGDHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors WYETH 2007-12-13 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-20070287738-A1 Substituted Cyanopyridines as protein kinase inhibitors CNKSR1, MAP3K1, MAP3K6 LMNA 2130/4885LRRK2 1241/4885ALDH1A1 3084/4885

“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.