SCHEMBL2576162

SCHEMBL2576162

c1ccc(-c2nccc3sccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.46
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.40
HTR5A P47898 1/20 0.40
TDO2 P48775 1/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GPR55 Q9Y2T6 1/20 0.40
ADORA2A P29274 2/20 0.39
LMNA P02545 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
ADORA1 P30542 1/20 0.37
GRM5 P41594 1/20 0.37
NQO2 P16083 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL29405843 1.00 PDPK1 (0.46) PDPK1PDE3BPDE3AHTR2CHTR2B
SCHEMBL16865685 0.96 PDPK1 (0.43) PDPK1PDE3BPDE3AHTR2CHTR2B
SCHEMBL21626531 0.89 PDPK1 (0.40) PDPK1PDE3BPDE3AHTR2CHTR2B
SCHEMBL12158617 0.82 KDM4E (0.39) HTR2CKDM4ENPC1RAB9AL3MBTL1
SCHEMBL17807493 0.82 PDE3B (0.45) PDE3BPDE3AHTR2CKDM4ELMNA
SCHEMBL24795597 0.80 MAPK14 (0.40) KDM4E
SCHEMBL16866588 0.80 HTR2B (0.48) HTR2CHTR2BHTR5AKDM4ENPC1
SCHEMBL15684012 0.80 MAP4K4 (0.44) PDPK1HTR2CKDM4ENPC1RAB9A
SCHEMBL12158630 0.78 KDM4E (0.45) HTR2CKDM4ENPC1RAB9AKMT2A
SCHEMBL24795236 0.77 KDM4E (0.41) HTR2CTDO2KDM4EADORA2ALMNA

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-20200024294-A1 Organic metal compound and organic light-emitting device INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2020-01-23 US disclosed
US-10183013-B2 Cyclic sulfonamide containing derivatives as inhibitors of hedgehog signaling pathway NANT HOLDINGS IP, LLC (US) 2019-01-22 US disclosed
US-10164199-B2 Organic metal compound and organic light-emitting device employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-12-25 US disclosed
US-20180175309-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-06-21 US disclosed
US-20180175309-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2018-06-21 US disclosed
US-20170135992-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY NANT HOLDINGS IP, LLC 2017-05-18 US disclosed
US-20170135992-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY NANT HOLDINGS IP, LLC 2017-05-18 US disclosed
US-9499539-B2 Cyclic sulfonamide containing derivatives as inhibitors of hedgehog signaling pathway NANTBIOSCIENCE, INC. (US) 2016-11-22 US disclosed
US-20160164007-A1 ORGANIC METAL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2016-06-09 US disclosed
US-20160164007-A1 ORGANIC METAL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2016-06-09 US disclosed
US-20150299190-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY NANT HOLDINGS IP, LLC 2015-10-22 US disclosed
US-8722207-B2 Organometallic compound, organic electroluminescence device and composition employing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2014-05-13 US disclosed
CN-102952162-A Organometallic compound, and organic electroluminescent device and composition comprising the same IND TECH RES INST 2013-03-06 CN disclosed
US-20130033171-A1 ORGANOMETALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2013-02-07 US disclosed
CN-102911211-A Organometallic compound and organic electroluminescent device comprising the same IND TECH RES INST 2013-02-06 CN disclosed
US-20110285275-A1 ORGANOMETALLIC COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOSITION EMPLOYING THE SAME INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2011-11-24 US disclosed
US-7445857-B2 Organometallic complex and organic electroluminescent devices utilizing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-11-04 US disclosed
US-7445857-B2 Organometallic complex and organic electroluminescent devices utilizing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2008-11-04 US disclosed
US-20070237981-A1 Organometallic complex and organic electroluminescent devices utilizing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE 2007-10-11 US disclosed
US-20070237981-A1 Organometallic complex and organic electroluminescent devices utilizing the same INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE 2007-10-11 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 (9 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-20180175309-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME C1S, C1R, C9 PDPK1 4479/4885PDE3B 4770/4885PDE3A 4786/4885
US-10183013-B2 Cyclic sulfonamide containing derivatives as inhibitors of hedgehog signaling pathway SMO, SHH, SOS1 PDPK1 715/4885PDE3B 1363/4885PDE3A 1209/4885
US-20110285275-A1 ORGANOMETALLIC COMPOUND, ORGANIC ELECTROLUMINESCENCE DEVICE AND COMPOSITION EMPLOYING THE SAME OR10J3, ORC3, C1S PDPK1 2816/4885PDE3B 4639/4885PDE3A 4778/4885
US-20160164007-A1 ORGANIC METAL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE EMPLOYING THE SAME C5, C9, C1S PDPK1 4210/4885PDE3B 4806/4885PDE3A 4847/4885
US-20130033171-A1 ORGANOMETALLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME ALDH16A1, ALDH1A1, ALDH2 PDPK1 588/4885PDE3B 2135/4885PDE3A 2335/4885
US-20150299190-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY SMO, SHH, SOS1 PDPK1 715/4885PDE3B 1363/4885PDE3A 1209/4885
US-20170135992-A1 CYCLIC SULFONAMIDE CONTAINING DERIVATIVES AS INHIBITORS OF HEDGEHOG SIGNALING PATHWAY SMO, SHH, SOS1 PDPK1 715/4885PDE3B 1363/4885PDE3A 1209/4885
US-10164199-B2 Organic metal compound and organic light-emitting device employing the same C5, C9, C1S PDPK1 4210/4885PDE3B 4806/4885PDE3A 4847/4885
US-20200024294-A1 Organic metal compound and organic light-emitting device ORC3, C1S, C1R PDPK1 4201/4885PDE3B 4785/4885PDE3A 4817/4885

“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.