SCHEMBL6464080

SCHEMBL6464080

CC1(C)CC(=O)C2=C(C1)NC(COCCN)=C(C#N)C2c1ccncn1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.45
ALDH1A1 P00352 14/20 0.45
GAA P10253 12/20 0.45
HPGD P15428 9/20 0.45
CASP1 P29466 7/20 0.45
HSD17B10 Q99714 7/20 0.45
CASP7 P55210 6/20 0.45
GLA P06280 5/20 0.45
HTT P42858 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40
KLK7 P49862 1/20 0.40
MAPK1 P28482 1/20 0.40
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALOX15 P16050 1/20 0.39
GSK3A P49840 3/20 0.39
TSHR P16473 1/20 0.39
GSK3B P49841 2/20 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
SCHEMBL6028404 0.89 KDM4E (0.54) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL6028348 0.87 ALDH1A1 (0.44) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL6028544 0.87 ALDH1A1 (0.48) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL6029626 0.84 ALDH1A1 (0.53) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL6028471 0.84 KDM4E (0.47) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL6027726 0.83 ALDH1A1 (0.42) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL6029261 0.83 ALDH1A1 (0.42) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL6027671 0.83 KDM4E (0.48) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL6027341 0.83 KDM4E (0.48) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL6029281 0.82 ALDH1A1 (0.69) KDM4EALDH1A1GAAHPGDCASP1

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
US-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 2005-09-15 US claimed
US-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 2005-09-15 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-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SLC5A2, SLC5A1, QDPR KDM4E 2337/4885ALDH1A1 416/4885GAA 230/4885

“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.