SCHEMBL277050

SCHEMBL277050

[O]c1ccc2sccc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.55
DYRK1A Q13627 1/20 0.46
PTPRC P08575 1/20 0.44
PTPN6 P29350 1/20 0.44
PTPN11 Q06124 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
CTNNB1 P35222 2/20 0.43
WNT3A P56704 2/20 0.43
CA2 P00918 9/20 0.42
CA12 O43570 8/20 0.42
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL276241 0.81 CYP2A6 (0.41) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL164774 0.73 CYP2A6 (0.50) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL17010916 0.73 CYP2A6 (0.52) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL534539 0.71 CYP2A6 (0.50) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL2011544 0.71 CYP2A6 (0.50) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL760406 0.71 CYP2A6 (0.55) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL153350 0.71 CYP2A6 (0.50) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL18725846 0.71 CYP2A6 (0.50) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL155613 0.71 CYP2A6 (0.50) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL226062 0.71 CYP2A6 (0.50) CYP2A6DYRK1APTPRCPTPN6PTPN11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9115341-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-08-25 US disclosed
EP-1636192-B9 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2015-07-01 EP disclosed
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2014-02-20 US disclosed
EP-1636192-B1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2014-01-15 EP disclosed
US-8552031-B2 3-ethylidenehydrazino substituted heterocyclic compounds as thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-10-08 US disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2013-01-10 US disclosed
US-8318796-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-8134013-B2 Amide compound and thrombopoietin receptor activator NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-03-13 US disclosed
US-8093251-B2 Nitrogen-containing heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-01-10 US disclosed
EP-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 WO disclosed
US-6384065-B1 CONTROL THE FUNCTIONS OF PROTEINS SUCH AS ENZYMES AND RECEPTOR FORTREATING INFLAMMATORY DISEASES SUCH AS RHEUMATOID ARTHRITIS, TOYAMA CHEMICAL CO., LTD. (JP) 2002-05-07 US disclosed
EP-0662964-B1 HETEROCYCLIC AMINES HAVING CALMODULIN ANTAGONIST PROPERTIES BRITISH TECH GROUP (GB) 1997-06-11 EP disclosed
US-5543422-A HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS, FUNGICIDES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-08-06 US disclosed
EP-0662964-A1 HETEROCYCLIC AMINES HAVING COLMODULIN ANTAGONIST PROPERTIES. BRITISH TECH GROUP (GB) 1995-07-19 EP disclosed
WO-1994007875-A1 HETEROCYCLIC AMINES HAVING COLMODULIN ANTAGONIST PROPERTIES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1994-04-14 WO disclosed
EP-0342891-B1 Fluorescent intracellular calcium indicators SMITHKLINE BEECHAM CORP (US) 1994-03-09 EP disclosed
EP-0342891-A1 Fluorescent intracellular calcium indicators SMITHKLINE BEECHAM CORPORATION (US) 1989-11-23 EP disclosed
US-4849362-A Fluorescent intracellular calcium indicators SMITHKLINE BECKMAN CORPORATION (US) 1989-07-18 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 (2 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-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 CYP2A6 630/4885DYRK1A 2916/4885PTPRC 1058/4885
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 CYP2A6 630/4885DYRK1A 2916/4885PTPRC 1058/4885

“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.