SCHEMBL1794997

SCHEMBL1794997

Cc1nc2cc(C#N)ccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 3/20 0.47
CSNK1A1 P48729 2/20 0.47
GSK3B P49841 2/20 0.47
CSNK1G2 P78368 2/20 0.47
IMPDH2 P12268 1/20 0.44
IMPDH1 P20839 1/20 0.44
ALDH1A1 P00352 1/20 0.43
PIN1 Q13526 1/20 0.43
PKN1 Q16512 1/20 0.42
PKN2 Q16513 1/20 0.42
RHEB Q15382 1/20 0.42
MAPK10 P53779 4/20 0.42
CYP19A1 P11511 1/20 0.41
CHUK O15111 1/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
PKM P14618 1/20 0.40

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 0.86 CSNK1D (0.61) CSNK1DCSNK1A1GSK3BCSNK1G2ALDH1A1
SCHEMBL12430878 0.86 CSNK1D (0.61) CSNK1DCSNK1A1GSK3BCSNK1G2ALDH1A1
SCHEMBL30798899 0.83 ABL1 (0.46) ALDH1A1PIN1CYP19A1POLB
SCHEMBL889017 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTPOLBHPGD
SCHEMBL4682904 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTPOLBHPGD
SCHEMBL4387879 0.80 IMPDH2 (0.46) CSNK1DCSNK1A1GSK3BCSNK1G2IMPDH2
SCHEMBL11249156 0.79 MASP2 (0.48) CSNK1DCSNK1A1GSK3BCSNK1G2IMPDH2
SCHEMBL2712161 0.79 PIN1 (0.46) CSNK1DCSNK1A1GSK3BCSNK1G2IMPDH2
SCHEMBL3987184 0.79 IMPDH2 (0.44) CSNK1DCSNK1A1GSK3BCSNK1G2IMPDH2
SCHEMBL27306100 0.79 IMPDH2 (0.44) CSNK1DCSNK1A1GSK3BCSNK1G2IMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US claimed
EP-3752498-B1 SOMATOSTATIN MODULATORS AND USES THEREOF CRINETICS PHARMACEUTICALS INC (US) 2023-06-28 EP disclosed
US-20220064150-A1 SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS PTC THERAPEUTICS INC (US) 2022-03-03 US disclosed
WO-2021076448-A1 SOMATOSTATIN MODULATORS FOR TREATING PITUITARY ADENOMAS Crinetics Pharmaceuticals, Inc. (US) 2021-04-22 WO disclosed
US-10640476-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof XW LABORATORIES INC. (KY) 2020-05-05 US disclosed
US-9947482-B2 Photoelectric conversion element, dye-sensitized solar cell, and metal complex dye used in same FUJIFILM CORPORATION (JP) 2018-04-17 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
US-9700543-B2 GLP-1 receptor stabilizers and modulators CELGENE INTERNATIONAL II SÀRL (CH) 2017-07-11 US disclosed
CN-103896849-B Nitrile-benzimidazole salt and preparation method thereof 陈燿腾 2017-05-24 CN disclosed
US-9580409-B2 Modulators of opioid receptors and methods of use thereof SUNOVION PHARMACEUTICALS, INC. (US) 2017-02-28 US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
EP-2003132-A1 HETERO COMPOUND Astellas Pharma Inc. (JP) 2008-12-17 EP disclosed
EP-1976829-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2008-10-08 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
US-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. 2007-11-15 US disclosed
US-20070232610-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-10-04 US disclosed
WO-2007070556-A2 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS GENELABS TECHNOLOGIES, INC. (US) 2007-06-21 WO disclosed
US-20070135467-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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 (7 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-20070135467-A1 HETEROCYCLIC CETP INHIBITORS CETP, CES1, NPC1 CSNK1D 616/4885CSNK1A1 588/4885GSK3B 1929/4885
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-20070265262-A1 N-(6-MEMBERED AROMATIC RING)-AMIDO ANTI-VIRAL COMPOUNDS ZC3HAV1, HAVCR2, ZC3HAV1L CSNK1D 2650/4885CSNK1A1 3809/4885GSK3B 4199/4885
US-20070232610-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 CSNK1D 361/4885CSNK1A1 232/4885GSK3B 2088/4885
US-10640476-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A CSNK1D 2830/4885CSNK1A1 2256/4885GSK3B 1249/4885
US-20220064150-A1 SUBSTITUTED REVERSE PYRIMIDINE BMI-1 INHIBITORS BMI1, BRPF3, BAZ2A CSNK1D 4144/4885CSNK1A1 3432/4885GSK3B 3739/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 CSNK1D 3699/4885CSNK1A1 2483/4885GSK3B 991/4885

“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.