SCHEMBL7200545

SCHEMBL7200545

CCOC(=O)c1nc2sc3c(c2c(=O)[nH]1)CCN(C)C3

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.71
ALDH1A1 P00352 3/20 0.71
GAA P10253 2/20 0.71
HPGD P15428 2/20 0.71
TSHR P16473 2/20 0.71
HSD17B10 Q99714 1/20 0.71
BRD4 O60885 9/20 0.57
BRD2 P25440 2/20 0.57
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
ATM Q13315 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HDAC2 Q92769 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
PSMD14 O00487 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50

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
SCHEMBL13154959 0.87 KDM4E (0.68) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL8199240 0.85 BRD4 (0.61) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL7200540 0.84 KDM4E (0.49) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL8197697 0.83 HPGD (0.95) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL3916185 0.83 KDM4E (1.00) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL14072010 0.83 KDM4E (0.64) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL8191450 0.82 KDM4E (0.98) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL8204067 0.82 KDM4E (0.98) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL13154913 0.81 KDM4E (0.79) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL8205477 0.80 ALDH1A1 (0.71) KDM4EALDH1A1GAAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-09-30 US disclosed
US-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
US-7749996-B2 Heterotricyclic metalloprotease inhibitors Alantos Pharmaceutical Holdings, Inc. (US) 2010-07-06 US disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 US disclosed
US-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors ALANTOS PHARMACEUTICALS HOLDINGS, INC. (US) 2010-04-08 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. 2008-08-28 US disclosed
WO-2008063667-A1 HETEROTRICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
EP-1323719-A1 Thienopyrimidine compounds and salts thereof and process for the preparation of the same NIPPON SODA CO., LTD. (JP) 2003-07-02 EP disclosed
US-6482948-B1 Thienopyrimidine compounds and salts thereof and process for the preparation of the same NIPPON SODA CO., LTD. (JP) 2002-11-19 US disclosed
EP-1167367-A1 THIENOPYRIMIDINE COMPOUNDS AND SALTS THEREOF AND PROCESS FOR THE PREPARATION OF THE SAME NIPPON SODA CO., LTD. (JP) 2002-01-02 EP 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 (3 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-20100087420-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 KDM4E 1443/4885ALDH1A1 1908/4885GAA 286/4885
US-20100249102-A1 Heterotricyclic Metalloprotease Inhibitors MMP13, MMP3, TIMP3 KDM4E 1443/4885ALDH1A1 1908/4885GAA 286/4885
US-20080207607-A1 Heterotricyclic metalloprotease inhibitors MMP13, MMP3, TIMP3 KDM4E 1443/4885ALDH1A1 1908/4885GAA 286/4885

“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.