SCHEMBL155143

SCHEMBL155143

[CH]1CNc2ccccc2S1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
GAA P10253 5/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
MAPT P10636 4/20 0.39
ALOX12 P18054 2/20 0.39
NOX1 Q9Y5S8 2/20 0.39
ALOX15 P16050 2/20 0.39
CYP1A2 P05177 1/20 0.39
BCHE P06276 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
MAOA P21397 1/20 0.39
CNR1 P21554 1/20 0.39
ACHE P22303 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL1592552 0.78 MEN1 (0.52) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL9834304 0.67 GAA (0.40) ALDH1A1GAAMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL29051623 0.65 ALDH1A1 (0.63) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL29452948 0.65
Bromide SCHEMBL11683988 0.65 ALDH1A1 (0.57) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL88911 0.64 GAA (0.96) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL29364653 0.64 GAA (0.96) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL12160120 0.64 GAA (0.55) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL3556450 0.64 GAA (0.96) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL1648596 0.64 GAA (0.45) ALDH1A1GAAMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265607-B1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS INC (US) 2016-12-14 EP claimed
US-8551999-B2 Heterocyclic compound and pharmaceutical composition thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US claimed
US-8309566-B2 Pyrimidine-2-amine compounds and their use as inhibitors of JAK kinases RIGEL PHARMACEUTICALS, INC. (US) 2012-11-13 US claimed
US-20120053345-A1 Indazole Compounds ABBOTT LABORATORIES (US) 2012-03-01 US claimed
JP-4764833-B2 2011-09-07 JP claimed
US-8008481-B2 Indazole compounds ABBVIE INC. 2011-08-30 US claimed
EP-1735270-B1 DIAMINO ALCOHOLS AND THEIR USE AS RENIN INHIBITORS NOVARTIS AG (CH) 2010-06-30 EP claimed
US-7718675-B2 Diamino alcohols and their use as renin inhibitor SPEEDEL EXPERIMENTA AG (CH) 2010-05-18 US claimed
US-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES RIGEL PHARMACEUTICALS, INC. (US) 2009-10-15 US claimed
EP-2001480-A2 INDAZOLE COMPOUNDS Abbott Laboratories (US) 2008-12-17 EP claimed
WO-1997003070-A1 NOVEL BENZIMIDAZOLE DERIVATIVES HAVING CGMP-PHOSPHODISTERASE INHIBITING ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-01-30 WO claimed
EP-0521827-B1 Pharmacological active hydrazin derivatives and process for their preparation CIBA GEIGY AG (CH) 1996-09-25 EP claimed
EP-0450097-B1 BENZOHETEROCYCLIC COMPOUNDS OTSUKA PHARMA CO LTD (JP) 1996-04-24 EP claimed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP claimed
EP-0521827-A1 Pharmacological active hydrazin derivatives and process for their preparation CIBA-GEIGY AG (CH) 1993-01-07 EP claimed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP claimed
EP-0120589-B1 IMIDAZO-HETEROCYCLIC COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-08 EP claimed
US-4621084-A CARDIOTONIC, ANTIULCER FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-11-04 US claimed
US-4548932-A ANGIOTENSIN INHIBITOR, HYPOTENSIVE AGENT TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US claimed
EP-0120589-A1 Imidazo-heterocyclic compounds, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-03 EP claimed

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-20090258864-A1 PYRIMIDINE-2-AMINE COMPOUNDS AND THEIR USE AS INHIBITORS OF JAK KINASES JAK2, JAK1, JAK3 ALDH1A1 3315/4885GAA 3046/4885MEN1 2578/4885
US-20120053345-A1 Indazole Compounds CYP3A43, CYP3A7, UGT1A1 ALDH1A1 89/4885GAA 358/4885MEN1 878/4885

“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.