SCHEMBL8202645

SCHEMBL8202645

CCOC(=O)c1nc2scc(-c3cnccn3)c2c(=O)[nH]1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.51
ALDH1A1 P00352 5/20 0.51
HPGD P15428 3/20 0.51
GAA P10253 3/20 0.51
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CDC7 O00311 1/20 0.48
DBF4 Q9UBU7 1/20 0.48
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CDK5 Q00535 9/20 0.41
CDK5R1 Q15078 9/20 0.41
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL8202655 0.89 CDC7 (0.38) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL8187464 0.83 KDM4E (0.41) KDM4EALDH1A1HPGDPOLBKMT2A
SCHEMBL688481 0.83 KDM4E (0.51) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL689482 0.83 KDM4E (0.57) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL13343532 0.81 ALDH1A1 (0.53) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL8198345 0.79 ALDH1A1 (0.56) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL689635 0.78 KDM4E (0.57) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL688766 0.78 ALDH1A1 (0.57) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL167069 0.78 ALDH1A1 (0.64) KDM4EALDH1A1HPGDGAACYP1A2
SCHEMBL13343482 0.78 KDM4E (0.56) KDM4EALDH1A1HPGDGAACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO 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-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 KDM4E 1572/4885ALDH1A1 1871/4885HPGD 587/4885

“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.