SCHEMBL12481069

SCHEMBL12481069

CCc1ccccc1-n1cccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
NPC1 O15118 1/20 0.53
NPBWR1 P48145 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
G6PD P11413 1/20 0.46
KMT2A Q03164 1/20 0.46
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
MGLL Q99685 1/20 0.44
MPO P05164 3/20 0.44
CACNA1G O43497 1/20 0.42
CACNA1H O95180 1/20 0.42
CACNA1I Q9P0X4 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
SCHEMBL110394 0.83 NPC1 (0.51) MAPK1NPC1NPBWR1KDM4EALDH1A1
SCHEMBL20695961 0.83 MAPK1 (0.51) MAPK1NPC1NPBWR1KDM4EALDH1A1
SCHEMBL18584960 0.83 NPC1 (0.56) MAPK1NPC1NPBWR1KDM4EALDH1A1
SCHEMBL21516008 0.83 MAPK1 (0.51) MAPK1NPC1NPBWR1KDM4EALDH1A1
SCHEMBL23139043 0.82 NPC1 (0.47) MAPK1NPC1NPBWR1KDM4EALDH1A1
SCHEMBL13017059 0.82 NPC1 (0.47) MAPK1NPC1NPBWR1KDM4EALDH1A1
SCHEMBL24352674 0.82 NPC1 (0.47) MAPK1NPC1NPBWR1KDM4EALDH1A1
SCHEMBL28857926 0.82 MAPK1 (0.47) MAPK1NPC1NPBWR1KDM4EALDH1A1
SCHEMBL20155920 0.82 NPBWR1 (0.46) MAPK1NPC1NPBWR1KDM4EALDH1A1
SCHEMBL6268451 0.82 NPC1 (0.44) MAPK1NPC1NPBWR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230269999-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-08-24 US disclosed
US-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. (US) 2022-05-17 US disclosed
US-10988465-B2 CXCR4 inhibitors and uses thereof X4 PHARMACEUTICALS, INC. (US) 2021-04-27 US disclosed
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2021-03-11 US disclosed
US-20200255414-A1 CXCR4 INHIBITORS AND USES THEREOF X4 PHARMACEUTICALS, INC. 2020-08-13 US disclosed
CN-106061950-B The manufacturing method of pyrazole compound 住友化学株式会社 2019-05-03 CN disclosed
WO-2016196816-A1 PHOTOREDOX-CATALYZED DIRECT C-H FUNCTIONALIZATION OF ARENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2016-12-08 WO disclosed
CN-104311563-B The small molecule myristate inhibitors of BCR-ABL and using method thereof 达那-法伯癌症研究所 2016-12-07 CN disclosed
US-8471024-B2 Tetrahydrofuropyridones MERCK SHARP & DOHME, CORP. (US) 2013-06-25 US disclosed
US-8283368-B2 Selective ligands for the dopamine 3 (D3) receptor and methods of using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-09 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-20100331358-A1 TETRAHYDROFUROPYRIDONES MERCK SHARP & DOHME LLC 2010-12-30 US disclosed
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds MULLAN MICHAEL J 2010-08-26 US disclosed
US-7446195-B2 High affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION (US) 2008-11-04 US disclosed
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-09 US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 US disclosed
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ALZHEIMER'S INSTITUTE OF AMERICA, INC. 2007-02-15 US disclosed
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 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 (12 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-11332463-B2 Spiropiperidine allosteric modulators of nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA6 MAPK1 753/4885NPC1 2572/4885NPBWR1 280/4885
US-20210070745-A1 SPIROPIPERIDINE ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA5, CHRNA6 MAPK1 753/4885NPC1 2572/4885NPBWR1 280/4885
US-20100331358-A1 TETRAHYDROFUROPYRIDONES HIF1AN, EGLN3, HIF1A MAPK1 3763/4885NPC1 1836/4885NPBWR1 2214/4885
US-20200255414-A1 CXCR4 INHIBITORS AND USES THEREOF CXCR4, CXCL12, CXCR3 MAPK1 1694/4885NPC1 339/4885NPBWR1 428/4885
US-20070185130-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 MAPK1 1791/4885NPC1 846/4885NPBWR1 2820/4885
US-20070037855-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 MAPK1 1791/4885NPC1 846/4885NPBWR1 2820/4885
US-20100216784-A1 Compounds for Inhibiting Beta-Amyloid Production and Methods of Identifying the Compounds APP, PSEN1, PSEN2 MAPK1 1791/4885NPC1 846/4885NPBWR1 2820/4885
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 MAPK1 2462/4885NPC1 3553/4885NPBWR1 154/4885
US-20230269999-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES ACAT1, ACMSD, SLC25A21 MAPK1 2705/4885NPC1 1016/4885NPBWR1 4823/4885
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same DRD3, HTR3C, HTR3A MAPK1 3253/4885NPC1 1999/4885NPBWR1 229/4885
US-10988465-B2 CXCR4 inhibitors and uses thereof CXCR4, CXCL12, CXCR3 MAPK1 1694/4885NPC1 339/4885NPBWR1 428/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 MAPK1 356/4885NPC1 4547/4885NPBWR1 4202/4885

“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.