SCHEMBL1504258

SCHEMBL1504258

[c]1c(C2CCc3ccccc32)ccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 1/20 0.41
IDO1 P14902 2/20 0.38
PDPK1 O15530 1/20 0.38
SIGMAR1 Q99720 6/20 0.37
CYP11B2 P19099 1/20 0.36
CHRNA7 P36544 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35

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
SCHEMBL2399221 0.91 ADRA2A (0.43) ADRA1AIDO1SIGMAR1CHRNA7ADRA2A
SCHEMBL7498131 0.77 PRCP (0.51)
SCHEMBL458139 0.73
SCHEMBL4955252 0.73 MTNR1A (0.33)
SCHEMBL5680358 0.72 ADRA1A (0.39) ADRA1AIDO1PDPK1SIGMAR1CYP11B2
SCHEMBL18249682 0.72 ADRA1A (0.37) ADRA1AIDO1PDPK1SIGMAR1CYP11B2
SCHEMBL4795332 0.71 ADRA1A (0.44) ADRA1AIDO1PDPK1SIGMAR1CYP11B2
SCHEMBL4721678 0.70 ALDH1A1 (0.30)
SCHEMBL4721538 0.70 CYP1B1 (0.32)
SCHEMBL18554493 0.70 CYP1A2 (0.43) ADRA1AIDO1PDPK1CYP11B2ADRA2A

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
US-20070129333-A1 1-Thia-2,4a-diaza-cyclopenta[b]naphthalene-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2007-06-07 US claimed
WO-2006074317-A1 1-THIA-2,4A-DIAZA-CYCLOPENTA[B]NAPHTHALENE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2006-07-13 WO claimed
EP-2576561-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2013-04-10 EP disclosed
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2013-03-21 US disclosed
US-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. 2012-12-06 US disclosed
EP-2516444-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-10-31 EP disclosed
WO-2012106448-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-08-09 WO disclosed
EP-2470537-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2012-07-04 EP disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
WO-2011150356-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
US-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-07-07 US disclosed
EP-2324020-A2 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-05-25 EP disclosed
WO-2011031554-A2 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2011-03-17 WO disclosed
US-7659399-B2 1-thia-2,4a-diaza-cyclopenta[b]napththalene-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. (US) 2010-02-09 US disclosed
WO-2010014930-A2 THERAPEUTIC AGENTS BIOCRYST PHARMACEUTICALS, INC. (US) 2010-02-04 WO disclosed
US-20070129333-A1 1-Thia-2,4a-diaza-cyclopenta[b]naphthalene-3,4-diones and related compounds as anti-infective agents ACHILLION PHARMACEUTICALS, INC. 2007-06-07 US disclosed
WO-2006074317-A1 1-THIA-2,4A-DIAZA-CYCLOPENTA[B]NAPHTHALENE-3,4-DIONES AND RELATED COMPOUNDS AS ANTI-INFECTIVE AGENTS ACHILLION PHARMACEUTICALS, INC. (US) 2006-07-13 WO disclosed
US-6794380-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; ANTIALLERGENS ASTRAZENECA AB (SE) 2004-09-21 US disclosed
US-20030186966-A1 Amide derivatives ASTRAZENECA AB 2003-10-02 US disclosed
WO-1994020096-A1 METHOD OF EMPLOYING CARBAZOLYL-(4)-OXYPROPANOLAMINE COMPOUNDS FOR INHIBITION OF SMOOTH MUSCLE CELL PROLIFERATION BOEHRINGER MANNHEIM PHARMACEUTICALS CORPORATION - SMITHKLINE BECKMAN CORPORATION LIMITED (US) 1994-09-15 WO 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-20110165183-A1 PIPERIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 ADRA1A 4237/4885IDO1 91/4885PDPK1 443/4885
US-20130071415-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 ADRA1A 4736/4885IDO1 420/4885PDPK1 258/4885
US-20030186966-A1 Amide derivatives IL6, IL6ST, IFNG ADRA1A 706/4885IDO1 451/4885PDPK1 4879/4885
US-20120309773-A1 HETEROCYCLIC COMPOUNDS AS JANUS KINASE INHIBITORS JAK2, JAK1, JAK3 ADRA1A 4737/4885IDO1 439/4885PDPK1 257/4885
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 ADRA1A 4637/4885IDO1 365/4885PDPK1 242/4885
US-20070129333-A1 1-Thia-2,4a-diaza-cyclopenta[b]naphthalene-3,4-diones and related compounds as anti-infective agents CCNA1, TOP1, DNA2 ADRA1A 238/4885IDO1 204/4885PDPK1 1008/4885

“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.