SCHEMBL4238751

SCHEMBL4238751

Ic1cc2ccccc2cn1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.54
CYP2A6 P11509 1/20 0.54
PDPK1 O15530 1/20 0.54
NPC1 O15118 2/20 0.44
PLAU P00749 1/20 0.44
RAB9A P51151 1/20 0.41
HTR3A P46098 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
BTK Q06187 1/20 0.39
MIF P14174 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NQO2 P16083 1/20 0.39
GPR3 P46089 1/20 0.38
CHEK1 O14757 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL23060848 0.81 MIF (0.31) MIF
SCHEMBL18574576 0.76 NOS1 (0.41) CYP1A2CYP2A6PDPK1NPC1RAB9A
SCHEMBL18562147 0.76 MAPT (0.45) CYP1A2CYP2A6PDPK1MAPT
SCHEMBL18459079 0.75 MAPT (0.47) KDM4EMAPT
SCHEMBL18459078 0.75 CLK1 (0.46) KDM4EMAPT
SCHEMBL5470573 0.74 NPC1 (0.63) CYP1A2CYP2A6PDPK1NPC1PLAU
SCHEMBL18459133 0.73 NPC1 (0.50) CYP1A2NPC1RAB9AKDM4EATM
SCHEMBL18459081 0.73 NPC1 (0.55) CYP1A2NPC1RAB9AKDM4EATM
SCHEMBL18574471 0.73 CYP1A2 (0.52) CYP1A2CYP2A6KDM4ETDP1NQO2
SCHEMBL18848482 0.73 NOS1 (0.38) MIF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018175-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS AND ELECTRONIC EQUIPMENT INCLUDING THE LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-01-18 US disclosed
US-11825740-B2 Amine compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-21 US disclosed
US-11818932-B2 Organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-14 US disclosed
US-11793063-B2 Condensed-cyclic compound and organic light emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-17 US disclosed
US-20230329103-A1 LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-10-12 US disclosed
US-11744146-B2 Amine-based compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-08-29 US disclosed
US-11706983-B2 Organic light-emitting device SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-07-18 US disclosed
US-11706973-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-07-18 US disclosed
WO-2023133225-A1 COMPOUNDS AND METHODS FOR MODULATING SPLICING REMIX THERAPEUTICS INC. (US) 2023-07-13 WO disclosed
US-11690289-B2 Organic compound containing heterocyclic ring and having low lumo properties, and organic electroluminescent device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-27 US disclosed
US-20170054091-A1 ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-23 US disclosed
US-20170033297-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-02 US disclosed
WO-2011143495-A1 HETEROARYLOXYHETEROCYCLYL COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO disclosed
EP-1954287-B1 CETP INHIBITORS MERCK SHARP & DOHME (US) 2011-11-16 EP disclosed
EP-1773330-B1 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK SHARP & DOHME (US) 2010-05-26 EP disclosed
US-7531663-B2 3-guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-05-12 US disclosed
WO-2006014618-A2 SUBSTITUTED PYRAZOLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE MERCK & CO., INC. (US) 2006-02-09 WO disclosed
EP-1523481-A1 3-GUANIDINOCARBONYL-1-HETEROARYL-INDOLE DERIVATIVES, PREPARATION PROCESS, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Aventis Pharma Deutschland GmbH (DE) 2005-04-20 EP disclosed
US-20050026989-A1 3-Guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-03 US disclosed
WO-2004007480-A1 3-GUANIDINOCARBONYL-1-HETEROARYL-INDOLE DERIVATIVES, PREPARATION PROCESS, THEIR USE AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-22 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 (8 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-11793063-B2 Condensed-cyclic compound and organic light emitting device including the same CRY1, CRY2, CCNE2 CYP1A2 1346/4885CYP2A6 2286/4885PDPK1 2081/4885
US-20240018175-A1 ORGANOMETALLIC COMPOUND, LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS AND ELECTRONIC EQUIPMENT INCLUDING THE LIGHT-EMITTING DEVICE GPX1, LAGE3, NFE2L2 CYP1A2 268/4885CYP2A6 814/4885PDPK1 3984/4885
US-11706973-B2 Condensed cyclic compound and organic light-emitting device including the same C1S, CCNT1, C9 CYP1A2 766/4885CYP2A6 213/4885PDPK1 3325/4885
US-11690289-B2 Organic compound containing heterocyclic ring and having low lumo properties, and organic electroluminescent device using the same LEF1, PPOX, LIMK1 CYP1A2 77/4885CYP2A6 1011/4885PDPK1 1578/4885
US-20170033297-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME CCNE2, CCNE1, CCNA1 CYP1A2 333/4885CYP2A6 1592/4885PDPK1 3615/4885
US-11744146-B2 Amine-based compound and organic light-emitting device including the same AOC2, AOC1, EML4 CYP1A2 456/4885CYP2A6 2759/4885PDPK1 2793/4885
US-11825740-B2 Amine compound and organic light-emitting device including the same AOC2, AOC1, AOC3 CYP1A2 126/4885CYP2A6 2184/4885PDPK1 2495/4885
US-20050026989-A1 3-Guanidinocarbonyl-1-heteroaryl-indole derivatives, preparation process, their use as medicaments, and pharmaceutical compositions comprising them IDO1, IDO2, HTR3C CYP1A2 80/4885CYP2A6 341/4885PDPK1 887/4885

“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.