SCHEMBL6028155

SCHEMBL6028155

CCOC(=O)C1=C(COCCN)NC2=C(C(=O)CC(C)(C)C2)C1c1ccncn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.51
ALDH1A1 P00352 11/20 0.51
GAA P10253 9/20 0.51
HPGD P15428 8/20 0.51
CASP1 P29466 7/20 0.51
HSD17B10 Q99714 7/20 0.51
CASP7 P55210 6/20 0.51
GLA P06280 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.46
RECQL P46063 1/20 0.45
TSHR P16473 3/20 0.44
NPSR1 Q6W5P4 2/20 0.41
NOTCH1 P46531 1/20 0.41
USP2 O75604 2/20 0.41
PKM P14618 1/20 0.41
HTR1A P08908 2/20 0.41
ADRA2A P08913 2/20 0.41
CHRM1 P11229 2/20 0.41
DRD1 P21728 2/20 0.41
TBXA2R P21731 2/20 0.41

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
SCHEMBL5822519 0.90 KDM4E (0.54) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL5809200 0.89 KDM4E (0.60) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL6028560 0.88 KDM4E (0.48) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL6028306 0.87 KDM4E (0.49) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL6028730 0.85 KDM4E (0.54) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL5814832 0.85 KDM4E (0.50) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL6028136 0.85 KDM4E (0.55) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL6465456 0.84 KDM4E (0.49) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL6029325 0.84 KDM4E (0.50) KDM4EALDH1A1GAAHPGDCASP1
SCHEMBL6028018 0.84 KDM4E (0.47) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663227-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS Synta Pharmaceuticals Corporation (US) 2006-06-07 EP claimed
US-20050203119-A1 Dihydropyridine compounds for treating or preventing metabolic disorders SYNTA PHARMACEUTICAL CORP. 2005-09-15 US claimed
WO-2005025507-A2 DIHYDROPYRIDINE COMPOUNDS FOR TREATING OR PREVENTING METABOLIC DISORDERS SYNTA PHAMACEUTICALS CORP. (US) 2005-03-24 WO 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.