SCHEMBL5483595

SCHEMBL5483595

COc1cccc(-c2ccnc(N)c2C#N)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 4/20 0.45
HSD17B10 Q99714 3/20 0.44
TSHR P16473 1/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
BLM P54132 1/20 0.44
ADORA2A P29274 4/20 0.42
ADORA1 P30542 4/20 0.42
PRKACA P17612 1/20 0.42
PRKACG P22612 1/20 0.42
PRKACB P22694 1/20 0.42
DYRK1A Q13627 1/20 0.41
ATM Q13315 2/20 0.40
HSP90AA1 P07900 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
SCHEMBL5481379 0.88 KDM4E (0.46) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL5480724 0.87 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL15672918 0.78 MGAM (0.51) ALDH1A1KDM4EMGAMGAASI
SCHEMBL564697 0.76 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDGAAMEN1
SCHEMBL5483520 0.74 NOS3 (0.44) ALDH1A1KDM4EHPGDHSD17B10ADORA2A
SCHEMBL5482017 0.74 LMNA (0.50) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL196440 0.72 MGAM (0.55) ALDH1A1KDM4EHPGDHSD17B10MGAM
SCHEMBL17971412 0.71 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL27886232 0.71 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDHSD17B10TSHR
SCHEMBL27886224 0.71 MYC (0.40) ALDH1A1KDM4EHPGDHSD17B10TSHR

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 ALDH1A1 3084/4885KDM4E 959/4885HPGD 2446/4885

“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.