SCHEMBL7125525

SCHEMBL7125525

CCOC(=O)c1c(N)c(C#N)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.59
KDM4E B2RXH2 7/20 0.57
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
HPGD P15428 2/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 2/20 0.48
ALOX15 P16050 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAPK1 P28482 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL6673711 0.74 ALDH1A1 (1.00) ALDH1A1KDM4EMAPTTSHRSMN1; SMN2
SCHEMBL6670041 0.74 ALDH1A1 (0.55) ALDH1A1KDM4EGAATSHRSMN1; SMN2
SCHEMBL14369638 0.73 KDM4E (0.68) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL3945483 0.72 ALDH1A1 (0.58) ALDH1A1KDM4EGAATSHRSMN1; SMN2
SCHEMBL5009981 0.71 ALDH1A1 (0.56) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL4532269 0.71 ALDH1A1 (0.51) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL15005226 0.71 MAPT (1.00) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL24157593 0.70 ALDH1A1 (0.49) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL17426082 0.70 KDM4E (0.63) ALDH1A1KDM4EGAAMAPTTSHR
SCHEMBL7834913 0.70 KDM4E (0.51) ALDH1A1KDM4EHPGDLMNAALOX15

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-20030096813-A1 Compositions useful as inhibitors of GSK-3 CAO JINGRONG (US) 2003-05-22 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-20030096813-A1 Compositions useful as inhibitors of GSK-3 GSK3B, GSK3A, GSKIP ALDH1A1 3164/4885KDM4E 1667/4885GAA 3518/4885

“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.