SCHEMBL12430878

SCHEMBL12430878

Cc1nc2ccc(C#N)cc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 5/20 0.61
CSNK1A1 P48729 4/20 0.61
GSK3B P49841 4/20 0.61
CSNK1G2 P78368 4/20 0.61
PIN1 Q13526 1/20 0.58
PKN1 Q16512 1/20 0.56
PKN2 Q16513 1/20 0.56
ALDH1A1 P00352 1/20 0.56
METAP2 P50579 1/20 0.52
METAP1 P53582 1/20 0.52
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ESR2 Q92731 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
FGFR1 P11362 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR3 P22607 1/20 0.49
CFB P00751 4/20 0.49

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
SCHEMBL29439000 1.00 CSNK1D (0.61) CSNK1DCSNK1A1GSK3BCSNK1G2PIN1
SCHEMBL1794997 0.86 CSNK1D (0.47) CSNK1DCSNK1A1GSK3BCSNK1G2PIN1
SCHEMBL24463260 0.82 ALDH1A1 (0.56) CSNK1DCSNK1A1GSK3BCSNK1G2ALDH1A1
SCHEMBL29727934 0.79 ALDH1A1 (0.66) PIN1ALDH1A1MAPTKDM4EPKM
SCHEMBL266609 0.79 ALDH1A1 (0.66) PIN1ALDH1A1MAPTKDM4EPKM
SCHEMBL2712166 0.79 PIN1 (0.62) CSNK1DCSNK1A1GSK3BCSNK1G2PIN1
SCHEMBL1245514 0.79 PIN1 (0.58) CSNK1DCSNK1A1GSK3BCSNK1G2PIN1
SCHEMBL22219469 0.79 PIN1 (0.58) CSNK1DCSNK1A1GSK3BCSNK1G2PIN1
SCHEMBL1793328 0.79 PIN1 (0.58) CSNK1DCSNK1A1GSK3BCSNK1G2PIN1
SCHEMBL7792028 0.79 PIN1 (0.58) CSNK1DCSNK1A1GSK3BCSNK1G2PIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024019541-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF 일동제약(주) 2024-01-25 WO disclosed
EP-3752498-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2023-06-28 EP disclosed
EP-3397629-B1 METALLOENZYME INHIBITOR COMPOUNDS NQP 1598 LTD (KY) 2023-04-19 EP disclosed
WO-2022261235-A1 NON-PEPTIDE TARGETED THERAPEUTICS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2022-12-15 WO disclosed
WO-2022261221-A1 NON-PEPTIDE TARGETED THERAPEUTICS AND USES THEREOF Crinetics Pharmaceuticals, Inc. (US) 2022-12-15 WO disclosed
US-10640476-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof XW LABORATORIES INC. (KY) 2020-05-05 US disclosed
US-9742034-B2 Cyano-benzimidazole salts for electrochemical cells and method for synthesis thereof NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2017-08-22 US disclosed
CN-103896849-B Nitrile-benzimidazole salt and preparation method thereof 陈燿腾 2017-05-24 CN disclosed
US-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO UNIVERSITY OF IOWA RESEARCH FOUNDATION 2016-04-28 US disclosed
CN-103896849-A Novel nitrile-benzimidazole salt and preparation method thereof CHERN YAW-TERNG 2014-07-02 CN disclosed
US-20140178771-A1 CYANO-BENZIMIDAZOLE SALTS FOR ELECTROCHEMICAL CELLS AND METHOD FOR SYNTHESIS THEREOF NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2014-06-26 US disclosed
WO-2013074387-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2013-05-23 WO disclosed
EP-1888579-B1 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA SA (FR) 2011-08-03 EP disclosed
US-20080070888-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-03-20 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 (3 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-20160115136-A1 COMPOUNDS, COMPOSITIONS COMPRSING SAME, AND METHODS RELATED THERETO LPO, NOTUM, FARS2 CSNK1D 4573/4885CSNK1A1 4303/4885GSK3B 2139/4885
US-20080070888-A1 AZETIDINE AND AZETIDONE DERIVATIVES USEFUL IN TREATING PAIN AND DISORDERS OF LIPID METABOLISM OPRD1, OPRK1, OPRL1 CSNK1D 1290/4885CSNK1A1 1739/4885GSK3B 4031/4885
US-10640476-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A CSNK1D 2830/4885CSNK1A1 2256/4885GSK3B 1249/4885

“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.