SCHEMBL4544610

SCHEMBL4544610

CCc1cnccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
CYP2E1 P05181 1/20 0.45
CYP2C8 P10632 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2A6 P11509 1/20 0.45
CYP2B6 P20813 1/20 0.45
CYP2C19 P33261 1/20 0.45
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
CLK1 P49759 1/20 0.40
MEN1 O00255 1/20 0.40
SLC22A12 Q96S37 3/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL7213436 0.85 CYP2E1 (0.47) CCNCCDK8CYP2E1CYP2C8CYP2D6
SCHEMBL7662114 0.84 HTT (0.42) CCNCCDK8CYP2E1CYP2C8CYP2D6
SCHEMBL3822143 0.84 CYP2E1 (0.57) CCNCCDK8CYP2E1CYP2C8CYP2D6
SCHEMBL7215542 0.82 L3MBTL1 (0.40) CCNCCDK8CYP2E1CYP2C8CYP2D6
SCHEMBL23674615 0.80 HTT (0.42) CCNCCDK8HTTKMT2AALDH1A1
SCHEMBL3074174 0.80 HTT (0.42) CCNCCDK8HTTKMT2AALDH1A1
SCHEMBL4544573 0.79 CYP11B1 (0.39) CCNCCDK8CYP2E1CYP2A6CYP2B6
SCHEMBL21241489 0.79 HTT (0.39) CCNCCDK8HTTKMT2AMEN1
SCHEMBL30100719 0.79 SLC6A4 (0.42) CCNCCDK8CYP2A6HTTKMT2A
SCHEMBL23517169 0.79 KMT2A (0.41) CCNCCDK8CYP2E1CYP2C8CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11839679-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles BIOSPLICE THERAPEUTICS, INC. (US) 2023-12-12 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
EP-4093400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF The Trustees of Princeton University (US) 2022-11-30 EP disclosed
US-20220087917-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES VICKERS VENTURE FUND VI PTE. LTD. (SG) 2022-03-24 US disclosed
WO-2021151062-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERISTY (US) 2021-07-29 WO disclosed
CN-112194620-B Preparation method of 2-ethyl-4-cyanopyridine 苏州开元民生科技股份有限公司 2021-02-26 CN disclosed
CN-112194620-B Preparation method of 2-ethyl-4-cyanopyridine 苏州开元民生科技股份有限公司 2021-02-26 CN disclosed
CN-112194620-A Preparation method of 2-ethyl-4-cyanopyridine 苏州开元民生科技股份有限公司 2021-01-08 CN disclosed
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-02-17 US disclosed
EP-2274983-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND Sumitomo Chemical Company, Limited (JP) 2011-01-19 EP disclosed
US-6603007-B1 Intermediates in the fields of pharmaceuticals, agrichemicals, ligands, silver halide photosensitive materials, liquid crystals, surfactants, electrophotography and organic electroluminescence SANKIO CHEMICAL CO., LTD. (JP) 2003-08-05 US disclosed
EP-1231207-A1 NOVEL BIPYRIDYL DERIVATIVES Sankio Chemical Co., Ltd. (JP) 2002-08-14 EP disclosed
EP-0424538-A1 PYRIDINE DERIVATIVES AND THEIR SALTS, AND INSECTICIDAL/ACARICIDAL AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT IDEMITSU KOSAN COMPANY LIMITED (JP) 1991-05-02 EP disclosed
US-4260759-A CONDENSATION OF NITRILES SCHERING-CORPORATION (US) 1981-04-07 US disclosed
US-4115395-A FUNGICIDES, BACTERICIDES SCHERING CORPORATION (US) 1978-09-19 US disclosed
US-4107166-A ANTIFUNGAL, ANTIBACTERIAL SCHERING CORPORATION (US) 1978-08-15 US disclosed
US-4017500-A FUNGICIDES, BACTERICIDES SCHERING CORPORATION (US) 1977-04-12 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 (4 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-20220087917-A1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES GLA, DGKG, DGKA CCNC 1345/4885CDK8 457/4885CYP2E1 4223/4885
US-20110039843-A1 HARMFUL ARTHROPOD CONTROL COMPOSITION, AND FUSED HETEROCYCLIC COMPOUND C5, C9, C1S CCNC 2325/4885CDK8 4560/4885CYP2E1 56/4885
US-11839679-B2 Gamma-diketones for treatment and prevention of aging skin and wrinkles DGKG, DGKA, DNER CCNC 1134/4885CDK8 76/4885CYP2E1 4038/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 CCNC 355/4885CDK8 747/4885CYP2E1 214/4885

“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.