SCHEMBL2580491

SCHEMBL2580491

[c]1n[nH]cc1-c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.34
CYP2A6 P11509 1/20 0.34
SMPD3 Q9NY59 1/20 0.34
ADORA2A P29274 5/20 0.33
ADORA1 P30542 4/20 0.33
METAP1 P53582 1/20 0.33
HSP90AA1 P07900 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NOS1 P29475 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADRB2 P07550 1/20 0.32
RAB9A P51151 1/20 0.32
ADORA3 P0DMS8 1/20 0.31
ADORA2B P29275 1/20 0.31
FBP1 P09467 1/20 0.30
PDK1 Q15118 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL102331 0.68 PDPK1 (0.59) PDPK1LOXL2CYP2A6SMPD3ADORA2A
SCHEMBL1457635 0.67 PDPK1 (0.39) PDPK1LOXL2CYP2A6SMPD3ADORA2A
SCHEMBL30534095 0.66 PDPK1 (0.56) PDPK1LOXL2CYP2A6SMPD3ADORA2A
SCHEMBL30632310 0.66 PDPK1 (0.56) PDPK1LOXL2CYP2A6SMPD3ADORA2A
SCHEMBL31556353 0.66 PDPK1 (0.56) PDPK1LOXL2CYP2A6SMPD3ADORA2A
SCHEMBL2342778 0.65 PDPK1 (0.47) PDPK1LOXL2CYP2A6ADORA2AADORA1
SCHEMBL558212 0.65 KDM4E (0.39) CYP2A6ADORA2AADORA1ALDH1A1HSD17B10
SCHEMBL2733130 0.65 PDPK1 (0.38) PDPK1LOXL2CYP2A6SMPD3ADORA2A
SCHEMBL4453199 0.65 PDPK1 (0.42) PDPK1LOXL2CYP2A6SMPD3ADORA2A
SCHEMBL5759107 0.65 CHRM2 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2069353-B1 POLYCYCLIC AGENTS FOR THE TREATMENT OF RESPIRATORY SYNCYTIAL VIRUS INFECTIONS BIOTA SCIENT MANAGEMENT (AU) 2011-11-09 EP claimed
US-20090030038-A1 Novel 8-Sulfonylamino-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5Ht6 Receptor ASTRAZENECA AB (SE) 2009-01-29 US claimed
EP-1888517-A1 NOVEL 8-SULFONYLAMINO-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR AstraZeneca AB (SE) 2008-02-20 EP claimed
WO-2006126939-A1 NOVEL 8-SULFONYLAMINO-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR ASTRAZENECA AB (SE) 2006-11-30 WO claimed
EP-0913392-B1 ETHYLENE DERIVATIVES AND PEST CONTROLLING AGENTS NISSAN CHEMICAL IND LTD (JP) 2003-07-02 EP claimed
US-4310619-A LIGHT SENSITIVE ELEMENT COMPRISING A 5-PYRAZOLONE COUPLER FUJI PHOTO FILM CO., LTD. (JP) 1982-01-12 US claimed
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof INTELLIKINE, LLC 2018-02-15 US disclosed
EP-2225235-A2 THIAZOLE CARBOXAMIDE DERIVATIVES AND THEIR USE TO TREAT CANCER Schering Corporation (US) 2010-09-08 EP disclosed
WO-2009058729-A2 THIAZOLE CARBOXAMIDE DERIVATIVES AND THEIR TO TREAT CANCER SCHERING CORPORATION (US) 2009-05-07 WO disclosed
US-20090030038-A1 Novel 8-Sulfonylamino-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5Ht6 Receptor ASTRAZENECA AB (SE) 2009-01-29 US disclosed
CN-101228119-A Novel 8-sulfonamido-3 amino substituted chroman or tetralin derivatives modulating the 5HT6 receptor ASTRAZENECA AB (SE) 2008-07-23 CN disclosed
US-20080095740-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION 2008-04-24 US disclosed
EP-1888517-A1 NOVEL 8-SULFONYLAMINO-3 AMINOSUBSTITUTED CHROMAN OR TETRAHYDRONAPHTALENE DERIVATIVES MODULATING THE 5HT6 RECEPTOR AstraZeneca AB (SE) 2008-02-20 EP disclosed
EP-1706388-A1 THERAPEUTIC AGENTS II AstraZeneca AB (SE) 2006-10-04 EP disclosed
WO-2005070902-A1 THERAPEUTIC AGENTS II ASTRAZENECA AB (SE) 2005-08-04 WO disclosed
US-20040157834-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor PFIZER INC 2004-08-12 US disclosed
US-6720330-B2 INCREASING SECRETION OF GROWTH HORMONE, GASTRIN, OR GLUCAGON IN A MAMMAL; INHIBITING THE BINDING OF SOMATOSTATIN TO AN SST2 RECEPTOR PFIZER INC. 2004-04-13 US disclosed
US-20020091090-A1 Somatostatin antagonists and agonists COLE BRIDGET M (US) 2002-07-11 US disclosed
US-20020091125-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor HAY BRUCE A (US) 2002-07-11 US disclosed
US-5866616-A 3,3-(disubstituted) cyclohexan-1-ol monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-02-02 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 (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-20090030038-A1 Novel 8-Sulfonylamino-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5Ht6 Receptor HTR6, HTR1A, HTR1D PDPK1 4236/4885LOXL2 4451/4885CYP2A6 172/4885
US-20020091090-A1 Somatostatin antagonists and agonists GHSR, GHRHR, SSTR3 PDPK1 3573/4885LOXL2 4227/4885CYP2A6 535/4885
US-20180042902-A1 Heterocyclic Compounds and Uses Thereof PIK3CA, PIK3CD, PIK3CB PDPK1 12/4885LOXL2 1951/4885CYP2A6 2417/4885
US-20080095740-A1 PIPERIDINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS CCR5, CXCR3, CCR1 PDPK1 3315/4885LOXL2 3434/4885CYP2A6 1389/4885
US-20040157834-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor SSTR2, GHSR, SSTR1 PDPK1 4343/4885LOXL2 3186/4885CYP2A6 558/4885
US-20020091125-A1 Somatostatin antagonists and agonists that act at the SST subtype 2 receptor SSTR2, GHSR, SSTR1 PDPK1 4235/4885LOXL2 3246/4885CYP2A6 568/4885

“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.