SCHEMBL4735939

SCHEMBL4735939

Oc1cc(-c2ccccn2)nc2ccsc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.50
ADORA1 P30542 3/20 0.50
CCR1 P32246 3/20 0.44
CCR5 P51681 3/20 0.44
CCR8 P51685 3/20 0.44
SLC2A1 P11166 2/20 0.43
KDM4E B2RXH2 4/20 0.42
METAP1 P53582 3/20 0.42
LMNA P02545 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
BLM P54132 1/20 0.42
HIF1A Q16665 1/20 0.42
DOHH Q9BU89 1/20 0.42
P4HTM Q9NXG6 1/20 0.42
TP53 P04637 1/20 0.42
ALPL P05186 1/20 0.42
HSP90AA1 P07900 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42

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
SCHEMBL4736973 0.82 CCR1 (0.51) ADORA2AADORA1CCR1CCR5CCR8
SCHEMBL4849634 0.80 MAPT (0.45) ADORA2AADORA1KDM4ELMNACYP1A2
SCHEMBL8140217 0.78 ADORA2A (0.50) ADORA2AADORA1CCR1CCR5CCR8
SCHEMBL4857319 0.77 ADORA2A (0.38) ADORA2AADORA1KDM4ESMN1; SMN2L3MBTL1
SCHEMBL4854161 0.77 ADORA2B (0.36) ADORA2AADORA1SMN1; SMN2RXFP1RAB9A
SCHEMBL577738 0.76 ADORA2A (0.53) ADORA2AADORA1SLC2A1KDM4EMETAP1
SCHEMBL4855822 0.75 MPL (0.43) ADORA2AADORA1HTTSMN1; SMN2L3MBTL1
SCHEMBL10610977 0.74 KDM4E (0.57) KDM4EMETAP1LMNAMAPK1SMN1; SMN2
SCHEMBL10292789 0.71 KDM4E (0.52) ADORA2AADORA1CCR1CCR5CCR8
SCHEMBL27916951 0.71 AXL (0.38) ADORA2AADORA1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371752-B2 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION (US) 2008-05-13 US claimed
US-20050154008-A1 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2005-07-14 US claimed
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines CAI GUOLIN (US) 2002-03-21 US claimed
US-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 US disclosed
US-8211897-B2 Inhibitors of cathepsin B VIROBAY, INC. (US) 2012-07-03 US disclosed
WO-2009100225-A1 INHIBITORS OF CATHEPSIN B VIROBAY, INC. (US) 2009-08-13 WO disclosed
US-20090203629-A1 INHIBITORS OF CATHEPSIN B VIROBAY, INC. (US) 2009-08-13 US disclosed
US-20090203629-A1 INHIBITORS OF CATHEPSIN B VIROBAY, INC. (US) 2009-08-13 US disclosed
WO-2008086053-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-17 WO disclosed
WO-2008086053-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-17 WO disclosed
US-20080161254-A1 HCV INHIBITORS VIROBAY, INC. (US) 2008-07-03 US disclosed
US-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same COLLINS MICHAEL R 2007-10-25 US disclosed
US-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same COLLINS MICHAEL R 2007-10-25 US disclosed
US-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same COLLINS MICHAEL R 2007-10-25 US disclosed
EP-1805187-A1 INHIBITORS OF HEPATITIS C VIRUS PROTEASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME Pfizer, Inc. (US) 2007-07-11 EP disclosed
WO-2006043145-A1 INHIBITORS OF HEPATITIS C VIRUS PROTEASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-04-27 WO disclosed
WO-2006043145-A1 INHIBITORS OF HEPATITIS C VIRUS PROTEASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-04-27 WO disclosed
US-20050154008-A1 Aryl fused substituted 4-oxy-pyridines NEUROGEN CORPORATION, A CORPORATION OF THE STATE OF DELAWARE (US) 2005-07-14 US disclosed
US-6828329-B2 Agonists, antagonists for gamma-aminobutyric acid brain receptors useful in diagnosis and treatment of anxiety depressionm, down syndrome, sleep and seizure disorders NEUROGEN CORPORATION 2004-12-07 US disclosed
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines CAI GUOLIN (US) 2002-03-21 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 (5 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-20080161254-A1 HCV INHIBITORS HAVCR2, ZC3HAV1, EIF2AK2 ADORA2A 3228/4885ADORA1 2845/4885CCR1 699/4885
US-20050154008-A1 Aryl fused substituted 4-oxy-pyridines CHRNA7, CHRNA4, GABRA6 ADORA2A 81/4885ADORA1 109/4885CCR1 2117/4885
US-20020035121-A1 Aryl fused substituted 4-oxy-pyridines GABRA4, GABRA6, GABRG2 ADORA2A 73/4885ADORA1 80/4885CCR1 2027/4885
US-20070249637-A1 Inhibitors Of Hepatitis C Virus Protease, And Compositions And Treatments Using The Same SERPINB1, CTSC, CTSV ADORA2A 4505/4885ADORA1 3990/4885CCR1 464/4885
US-20090203629-A1 INHIBITORS OF CATHEPSIN B CTSB, CSTB, CTSF ADORA2A 2613/4885ADORA1 1664/4885CCR1 762/4885

“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.