SCHEMBL1389231

SCHEMBL1389231

c1csc(-c2c[nH]nn2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
RAB9A P51151 1/20 0.40
PDPK1 O15530 1/20 0.39
SMPD3 Q9NY59 1/20 0.39
SPHK2 Q9NRA0 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
CYP2A6 P11509 1/20 0.35
SYK P43405 4/20 0.34
METAP1 P53582 1/20 0.34
CYP1A1 P04798 5/20 0.34
CYP1A2 P05177 5/20 0.34
CYP1B1 Q16678 5/20 0.34
SRC P12931 2/20 0.33
ZAP70 P43403 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
NOS1 P29475 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADORA2A P29274 1/20 0.33

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
Isothiazole SCHEMBL27711363 0.87 RAB9A (0.36) HSP90AA1RAB9APDPK1SMPD3SPHK2
SCHEMBL28149989 0.78 METAP1 (0.41) HSP90AA1RAB9APDPK1CYP2A6METAP1
SCHEMBL87533 0.69
SCHEMBL102331 0.69 PDPK1 (0.59) HSP90AA1RAB9APDPK1SMPD3LOXL2
SCHEMBL1024793 0.69 FBP1 (0.32)
SCHEMBL1782526 0.68 HSP90AA1 (0.46) HSP90AA1RAB9APDPK1SMPD3SPHK2
SCHEMBL219657 0.68 KDM4E (0.50) RAB9ACYP1A2ALDH1A1HSD17B10
SCHEMBL31556353 0.67 PDPK1 (0.56) HSP90AA1RAB9APDPK1SMPD3LOXL2
SCHEMBL30534095 0.67 PDPK1 (0.56) HSP90AA1RAB9APDPK1SMPD3LOXL2
SCHEMBL30632310 0.67 PDPK1 (0.56) HSP90AA1RAB9APDPK1SMPD3LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3394054-B1 NOVEL 1,2,3 TRIAZOLE-THIAZOLE COMPOUNDS, PROCESS FOR PREPARATION AND USE THEREOF COUNCIL SCIENT IND RES (IN) 2019-11-06 EP claimed
EP-2968324-B1 SUBSTITUTED PYRIDAZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2018-04-18 EP claimed
US-9353104-B2 Substituted pyridizinone derivatives as PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US claimed
US-20160016947-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-01-21 US claimed
EP-2968324-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-20 EP claimed
WO-2014150114-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO claimed
WO-2014139150-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-18 WO claimed
US-7968530-B2 Organic derivatives, their salts and use for the control of phytopathogens ISAGRO S.P.A (IT) 2011-06-28 US claimed
US-20090029948-A1 Organic Derivatives, Their Salts and Use for the Control of Phytopathogens ISAGRO S.P.A. (IT) 2009-01-29 US claimed
CN-101316509-A Compounds and relative use for the control of phytopathogens ISAGRO RICERCA SRL (IT) 2008-12-03 CN claimed
EP-1976826-A2 ORGANIC DERIVATIVES, THEIR SALTS AND USE FOR THE CONTROL OF PHYTOPATHOGENS ISAGRO S.p.A. (IT) 2008-10-08 EP claimed
WO-2007071428-A2 ORAGANIC DERIVATIVES, THEIR SALTS AND USE FOR THE CONTROL OF PHYTO PATHOGENS ISAGRO S.P.A. (IT) 2007-06-28 WO claimed
EP-0625970-B1 SULFONAMIDE HERBICIDES AGREVO UK LTD (GB) 1997-09-17 EP claimed
WO-2026105052-A1 BIARYL ACID COMPOUNDS PFIZER INC. (US) 2026-05-21 WO disclosed
WO-2026088071-A1 SUBSTITUTED FUSED HETEROARYL LACTAM COMPOUNDS PFIZER INC. (US) 2026-04-30 WO disclosed
EP-4658636-A1 LIPID COMPOUNDS AND USES THEREOF Pfizer Inc. (US) 2025-12-10 EP disclosed
EP-0161841-A1 2-(N-substituteguanidino)-4-hetero-arylthiazole antiulcer agents PFIZER INC. (US) 1985-11-21 EP disclosed
US-4503064-A BACTERICIDAL ANTIBIOTICS SCHERING CORPORATION (US) 1985-03-05 US disclosed
EP-0021688-A1 7-(Thiazolylpropionamido) cephalosporins, their preparation, and pharmaceutical compositions containing them YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-01-07 EP disclosed
US-3767654-A THIAZINE AND THIAZOLE TRIAZOLES SQUIBB & SONS INC 1973-10-23 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-20090029948-A1 Organic Derivatives, Their Salts and Use for the Control of Phytopathogens ERG28, OAT, OSTC HSP90AA1 2898/4885RAB9A 3649/4885PDPK1 2850/4885
US-20160016947-A1 SUBSTITUTED PYRIDIZINONE DERIVATIVES AS PDE10 INHIBITORS PDE12, PDE5A, PDE10A HSP90AA1 2673/4885RAB9A 447/4885PDPK1 162/4885

“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.