SCHEMBL2802258

SCHEMBL2802258

CCOC(=O)Nc1ccsc1C(=O)OC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
NPC1 O15118 1/20 0.61
KMT2A Q03164 5/20 0.59
MEN1 O00255 3/20 0.59
RAB9A P51151 1/20 0.59
ALDH1A1 P00352 5/20 0.59
GAA P10253 2/20 0.59
PKM P14618 2/20 0.58
ATM Q13315 1/20 0.58
MAPT P10636 3/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 1/20 0.57
MAPK10 P53779 3/20 0.57
MAPK8 P45983 2/20 0.57
MAPK9 P45984 2/20 0.57
MAPK1 P28482 1/20 0.56
POLB P06746 1/20 0.56
KDM4E B2RXH2 2/20 0.56

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
SCHEMBL8945238 0.86 NPSR1 (0.62) HPGDSMN1; SMN2NPC1KMT2AMEN1
SCHEMBL4509748 0.86 ABCC1 (0.61) HPGDSMN1; SMN2NPC1KMT2AMEN1
SCHEMBL4779529 0.86 ALDH1A1 (0.60) HPGDSMN1; SMN2NPC1KMT2AMEN1
SCHEMBL4141900 0.84 PKM (0.76) HPGDSMN1; SMN2NPC1KMT2AMEN1
SCHEMBL4493393 0.82 MAPK8 (0.68) HPGDSMN1; SMN2NPC1KMT2AMEN1
SCHEMBL15640149 0.80 MAPK8 (0.58) HPGDSMN1; SMN2NPC1KMT2AMEN1
SCHEMBL1367369 0.79 NPC1 (0.71) HPGDSMN1; SMN2NPC1KMT2AMEN1
SCHEMBL5106577 0.79 KMT2A (0.66) HPGDSMN1; SMN2NPC1KMT2AMEN1
SCHEMBL2106155 0.79 NPC1 (0.66) HPGDSMN1; SMN2NPC1KMT2AMEN1
SCHEMBL4703791 0.79 NPC1 (0.61) HPGDSMN1; SMN2NPC1KMT2AMEN1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8937075-B2 Thieno- and furo-pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, NV (BE) 2015-01-20 US disclosed
US-8927555-B2 Thieno- and furo-pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA, NV (BE) 2015-01-06 US disclosed
EP-2200595-B1 THIENO-AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA NV (BE) 2013-11-20 EP disclosed
US-8445482-B2 Thieno- and furo-pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2013-05-21 US disclosed
US-8440654-B2 Thieno- and furo-pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2013-05-14 US disclosed
US-20120270855-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR EDWARDS JAMES P (US) 2012-10-25 US disclosed
US-20120238544-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR Timoneda, Jesús Joanós i 2012-09-20 US disclosed
US-20120214792-A1 THIENO- ADN FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR EDWARDS JAMES P (US) 2012-08-23 US disclosed
US-20120208793-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR Timoneda, Jesús Joanós 2012-08-16 US disclosed
US-8193178-B2 Thieno- and furo-pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-06-05 US disclosed
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2009-06-25 US disclosed
WO-2009038673-A2 THIENO-AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-26 WO disclosed
US-20090075970-A1 Thieno-and furo-pyrimidine modulators of the histamine H4 receptor JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-19 US disclosed
US-7498325-B2 Modified amino acids, pharmaceuticals containing these compounds and method for their production KARL THOMAS GMBH (DE) 2009-03-03 US disclosed
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production DR. KARL THOMAE GMBH (DE) 2004-10-28 US disclosed
CN-1129605-C Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. THOMAE GMBH DR K (DE) 2003-12-03 CN disclosed
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2003-04-10 US disclosed
US-6344449-B1 HEADACHE AND MORPHINE DEPENDENCE DR. KARL THOMAE GMBH (DE) 2002-02-05 US disclosed
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production RUDOLF KLAUS (DE) 2001-11-01 US disclosed
CN-1230196-A Modified aminoacids, pharmaceuticals containing these compounds and method for their prodn. THOMAE GMBH DR K (DE) 1999-09-29 CN 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 (9 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-20120208793-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 HPGD 242/4885SMN1; SMN2 4738/4885NPC1 3306/4885
US-20090163480-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, CHRM1, SRMS HPGD 3959/4885SMN1; SMN2 1400/4885NPC1 2959/4885
US-20040214819-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 HPGD 3669/4885SMN1; SMN2 1689/4885NPC1 2516/4885
US-20030069231-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production SLC1A5, NEFM, SRMS HPGD 3365/4885SMN1; SMN2 1673/4885NPC1 2366/4885
US-20090075970-A1 Thieno-and furo-pyrimidine modulators of the histamine H4 receptor HRH4, HRH3, HRH2 HPGD 242/4885SMN1; SMN2 4738/4885NPC1 3306/4885
US-20120238544-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 HPGD 242/4885SMN1; SMN2 4738/4885NPC1 3306/4885
US-20120214792-A1 THIENO- ADN FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 HPGD 279/4885SMN1; SMN2 4751/4885NPC1 3867/4885
US-20120270855-A1 THIENO- AND FURO-PYRIMIDINE MODULATORS OF THE HISTAMINE H4 RECEPTOR HRH4, HRH3, HRH2 HPGD 242/4885SMN1; SMN2 4738/4885NPC1 3306/4885
US-20010036946-A1 Modified amino acids, pharmaceuticals containing these compounds and method for their production PTMS, SRMS, OPRM1 HPGD 3669/4885SMN1; SMN2 1689/4885NPC1 2516/4885

“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.