SCHEMBL9963989

SCHEMBL9963989

CC1(C)c2ccccc2-c2cccnc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
PGR P06401 2/20 0.36
PTPRC P08575 2/20 0.34
CTSL P07711 1/20 0.34
CTSS P25774 1/20 0.34
PTPN13 Q12923 1/20 0.34
MLNR O43193 1/20 0.34
NR1I2 O75469 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRB1 P08588 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
CHRM3 P20309 1/20 0.34

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
SCHEMBL24349330 0.85 TDP1 (0.39) PDK2KMT2ACYP1A2CYP2C19PTPRC
SCHEMBL24349347 0.82 PDK2 (0.47) PDK2KMT2ACYP1A2CYP2C19PTPRC
SCHEMBL22373903 0.82 PDK2 (0.41) PDK2KMT2ACYP1A2CYP2C19DRD2
SCHEMBL22424796 0.82 MAOA (0.35) PDK2KMT2ACYP1A2CYP2C19KDM4E
SCHEMBL22373946 0.82 PDK2 (0.46) PDK2KMT2ACYP1A2CYP2C19KDM4E
SCHEMBL81678 0.80 PDK2 (0.40) PDK2KMT2AKDM4EMEN1NPC1
SCHEMBL30322773 0.79 KMT2A (0.41) PDK2KMT2ACYP1A2CYP2C19PTPRC
SCHEMBL19009208 0.79 KMT2A (0.41) PDK2KMT2ACYP1A2CYP2C19PTPRC
SCHEMBL21226328 0.78 PDK2 (0.44) PDK2KMT2ACYP1A2CYP2C19PGR
SCHEMBL30658986 0.78 PDK2 (0.44) PDK2KMT2ACYP1A2CYP2C19PGR

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230389413-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2023-11-30 US disclosed
US-20230301182-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-09-21 US disclosed
US-11758807-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION 2023-09-12 US disclosed
EP-3909958-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2021-11-17 EP disclosed
US-10370473-B2 Compound, curable composition, cured product, optical member, and lens FUJIFILM CORPORATION (JP) 2019-08-06 US disclosed
US-9663470-B2 Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160329509-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION 2016-11-10 US disclosed
US-9478758-B1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-10-25 US disclosed
US-9478758-B1 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2016-10-25 US disclosed
US-20160272590-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-09-22 US disclosed
US-9328072-B2 Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2016-05-03 US disclosed
US-9120769-B2 Aryl-and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) 2015-09-01 US disclosed
US-20140249174-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-04 US disclosed
US-20140031544-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-30 US disclosed
US-8497281-B2 Aryl- and heteroarylcarbonyl derivatives of hexahydroindenopyridine and octahydrobenzoquinoline VITAE PHARMACEUTICALS, INC. (US) 2013-07-30 US disclosed
US-20120157488-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE BOEHRINGER-INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 US disclosed
US-20110136800-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE Boehringer Ingelheim International GmbH Vitae Pharmaceuticals 2011-06-09 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 (10 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-20140031544-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 PDK2 155/4885KMT2A 1393/4885CYP1A2 24/4885
US-20140249174-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 PDK2 155/4885KMT2A 1393/4885CYP1A2 24/4885
US-20120157488-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 PDK2 155/4885KMT2A 1393/4885CYP1A2 24/4885
US-20230389413-A1 Organic Electroluminescent Materials and Devices GLRA3, ESRRG, GLRA1 PDK2 3870/4885KMT2A 4313/4885CYP1A2 3548/4885
US-20230301182-A1 ORGANIC COMPOUND, AND ELECTRONIC ELEMENT AND ELECTRONIC DEVICE USING SAME OR10J3, ESR1, EPCAM PDK2 1305/4885KMT2A 756/4885CYP1A2 428/4885
US-10370473-B2 Compound, curable composition, cured product, optical member, and lens CRYZ, CRYAA, UACA PDK2 4845/4885KMT2A 1692/4885CYP1A2 3495/4885
US-20160329509-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES SOD1, SLC25A21, SLC25A11 PDK2 1107/4885KMT2A 3230/4885CYP1A2 1310/4885
US-20110136800-A1 ARYL-AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 PDK2 155/4885KMT2A 1393/4885CYP1A2 24/4885
US-20160272590-A1 ARYL- AND HETEROARYLCARBONYL DERIVATIVES OF HEXAHYDROINDENOPYRIDINE AND OCTAHYDROBENZOQUINOLINE HSD17B1, HSD3B1, HSD11B1 PDK2 155/4885KMT2A 1393/4885CYP1A2 24/4885
US-11758807-B2 Organic electroluminescent materials and devices GLRA3, ESRRG, GLRA1 PDK2 3870/4885KMT2A 4313/4885CYP1A2 3548/4885

“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.