SCHEMBL2126189

SCHEMBL2126189

[c]1sccc1-c1nccs1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.45
ADRB2 P07550 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
CYP2A6 P11509 1/20 0.40
HSP90AA1 P07900 1/20 0.39
ADORA2A P29274 8/20 0.39
ADORA1 P30542 7/20 0.39
RAB9A P51151 1/20 0.37
METAP1 P53582 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
NOS1 P29475 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADORA3 P0DMS8 3/20 0.33
ADORA2B P29275 3/20 0.33
SMPD3 Q9NY59 1/20 0.33
FBP1 P09467 1/20 0.32
PDK1 Q15118 1/20 0.32
SYK P43405 1/20 0.32

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
SCHEMBL578376 0.72 PDPK1 (0.52) PDPK1ADRB2LOXL2CYP2A6HSP90AA1
SCHEMBL102331 0.71 PDPK1 (0.59) PDPK1ADRB2LOXL2CYP2A6HSP90AA1
SCHEMBL3661051 0.70 CYP2A6 (0.31) CYP2A6PDK1
SCHEMBL28358060 0.69 PDPK1 (0.40) PDPK1ADRB2LOXL2CYP2A6HSP90AA1
SCHEMBL5075003 0.69 PDPK1 (0.39) PDPK1ADRB2LOXL2CYP2A6HSP90AA1
SCHEMBL28007978 0.69 SYK (0.40) PDPK1ADRB2LOXL2CYP2A6HSP90AA1
SCHEMBL30632310 0.69 PDPK1 (0.56) PDPK1ADRB2LOXL2CYP2A6HSP90AA1
SCHEMBL31556353 0.69 PDPK1 (0.56) PDPK1ADRB2LOXL2CYP2A6HSP90AA1
SCHEMBL30534095 0.69 PDPK1 (0.56) PDPK1ADRB2LOXL2CYP2A6HSP90AA1
SCHEMBL28154527 0.69 PDPK1 (0.56) PDPK1ADRB2LOXL2CYP2A6HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016128356-A1 LIGHT-ABSORBING COMPOUNDS Technische Universität Dresden (DE) 2016-08-18 WO claimed
CN-105209031-A Novel antiviral agents against HBV infection UNIV DREXEL 2015-12-30 CN claimed
EP-2443124-A1 SUBSTITUTED -1,3,8-TRIAZASPIRO[4.5]DECANE-2,4-DIONES Merck Sharp & Dohme Corp. (US) 2012-04-25 EP claimed
WO-2010147776-A1 SUBSTITUTED -1,3,8-TRIAZASPIRO[4.5]DECANE-2,4-DIONES MERCK SHARP & DOHME CORP. (US) 2010-12-23 WO claimed
EP-1730148-A4 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS ABBOTT LAB (US) 2009-08-19 EP claimed
WO-2008016643-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-02-07 WO claimed
EP-1730148-A2 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2006-12-13 EP claimed
US-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABBOTT LABORATORIES 2006-02-02 US claimed
WO-2005074603-A2 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-08-18 WO claimed
WO-2005010534-A1 EP1 RECEPTOR ANTAGONISTS FOR THE TREATMENT OF BENIGN PROSTATIC HYPERTROPHY AND SCREENING METHOD PFIZER LIMITED (GB) 2005-02-03 WO claimed
US-20050020646-A1 Treatment of BPH PFIZER INC. 2005-01-27 US claimed
EP-0992492-B1 Small molecule inhibitors of rotamase enzyme activity GUILFORD PHARM INC (US) 2004-08-25 EP claimed
US-6376503-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC 2002-04-23 US claimed
EP-1023068-A4 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO INC (US) 2001-05-16 EP claimed
EP-1023068-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2000-08-02 EP claimed
EP-0992492-A1 Small molecule inhibitors of rotamase enzyme activity GUILFORD PHARMACEUTICALS INC. (US) 2000-04-12 EP claimed
EP-0685479-B1 Heterocyclylcarbonyl substituted benzofuranyl- and -thiophenyl-alkanecarboxyclic acid derivatives BAYER AG (DE) 1999-01-13 EP claimed
WO-1998057638-A1 ALPHA 1a ADRENERGIC RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-12-23 WO claimed
EP-0685479-A1 Heterocyclylcarbonyl substituted benzofuranyl- and -thiophenyl-alkanecarboxyclic acid derivatives BAYER AG (DE) 1995-12-06 EP claimed
EP-0150939-A1 Dihydropyridine anti-ischaemic and antihypertensive agents Pfizer Limited (GB) 1985-08-07 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-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABL1, MAP3K19, MAP3K20 PDPK1 253/4885ADRB2 2581/4885LOXL2 1671/4885
US-20050020646-A1 Treatment of BPH BPHL, PTGER1, PTGER2 PDPK1 3541/4885ADRB2 88/4885LOXL2 1247/4885

“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.