SCHEMBL1636355

SCHEMBL1636355

COc1cc[c]c(SC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CYP1A2 P05177 6/20 0.35
CYP1A1 P04798 5/20 0.35
CYP1B1 Q16678 5/20 0.35
ALDH1A1 P00352 5/20 0.35
ACHE P22303 1/20 0.34
CYP2A6 P11509 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL21950834 0.93 CYP1A2 (0.32) CA1CA2CA7CA9CA12
SCHEMBL28114361 0.77 GPR3 (0.37) CYP1A2ALDH1A1MAPTGAABLM
SCHEMBL15066961 0.73 ALDH1A1 (0.41) CA1CA2CA7CA9CA12
SCHEMBL28387512 0.72 NPC1 (0.46) CYP1A2ALDH1A1KDM4EMAPTKMT2A
SCHEMBL160135 0.71
SCHEMBL77754 0.71 CA1 (0.39) CA1CA2CA7CA9CA12
SCHEMBL6689004 0.71
SCHEMBL40745 0.71 MCL1 (0.31) MCL1SLC6A4
SCHEMBL27731396 0.71 CA1 (0.35) CA1CA2CA7CA9CA12
SCHEMBL980218 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, NV (BE) 2013-11-21 US disclosed
US-8455511-B2 Pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-04 US disclosed
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-7951811-B2 Antagonist against corticotropen releasing factor receptors; antidepressants, anxiolytic agents, Alzheimer's disease; Parkinson's disease; eating disorders; hypotensive agents; gastrointestinal disorders; drug abuse; brain disorders; antiischemic agents; antiinflammatory agents; immunotherapy; alopecia TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-05-31 US disclosed
US-20110124862-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-7932259-B2 Pyrrolo[2,3-d]pyrimidine derivatives substituted with a cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-04-26 US disclosed
EP-1787992-B1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO LTD (JP) 2009-04-29 EP disclosed
US-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group TASHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-20 US disclosed
US-20080280928-A1 Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with a Cyclic Amino Group As Crf Antagonists TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-11-13 US disclosed
EP-1467997-B8 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO LTD (JP) 2008-08-27 EP disclosed
EP-1781652-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH TETRAHYDROPYRIDINE AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-05-09 EP disclosed
EP-1758903-A1 PYRROLOPYRAMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-03-07 EP disclosed
WO-2006001511-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 WO disclosed
WO-2006001501-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH TETRAHYDROPYRIDINE AS CRF ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-01-05 WO disclosed
CN-1692115-A Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO LTD (JP) 2005-11-02 CN disclosed
US-20050209253-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group TAISHO PHARMACEUTICAL CO., LTD. (JP) 2005-09-22 US disclosed
EP-1467997-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP Taisho Pharmaceutical Co. Ltd. (JP) 2004-10-20 EP disclosed
WO-2004058767-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP TAISHO PHARMACEUTICAL CO., LTD. (JP) 2004-07-15 WO disclosed
US-4725600-A Pyrimidine compounds having activity as a cardiotonic anti-hypertensive cerebrovascular vasodilator and anti-platelet aggregation agent FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-02-16 US disclosed
EP-0168262-A2 Pyrimidine derivatives, processes for preparation thereof and use thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-01-15 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 (6 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-20080287397-A1 Pyrrolopyrimidine Derivatives Substituted with Cyclic Amino Group HRH2, HRH4, CRHR1 CA1 1080/4885CA2 2361/4885CA7 3213/4885
US-20110130364-A1 PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH CYCLIC AMINO GROUP HRH2, HRH4, CRHR1 CA1 938/4885CA2 1874/4885CA7 2980/4885
US-20080280928-A1 Pyrrolopyrimidine and Pyrrolopyridine Derivatives Substituted with a Cyclic Amino Group As Crf Antagonists CRHR1, CRHR2, HRH4 CA1 1440/4885CA2 2465/4885CA7 3618/4885
US-20130310358-A1 PYRIMIDINE COMPOUNDS AS DELTA OPIOID RECEPTOR MODULATORS OPRD1, OPRK1, OPRM1 CA1 4697/4885CA2 4423/4885CA7 4830/4885
US-20050209253-A1 Pyrrolopyrimidine and pyrrolopyridine derivatives substituted with cyclic amino group HRH2, HRH4, HRH1 CA1 1336/4885CA2 2786/4885CA7 3408/4885
US-20110124862-A1 PYRROLOPYRIMIDINE AND PYRROLOPYRIDINE DERIVATIVES SUBSTITUTED WITH A CYCLIC AMINO GROUP AS CRF ANTAGONISTS CRHR1, HRH2, CRHR2 CA1 1648/4885CA2 2414/4885CA7 3587/4885

“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.