SCHEMBL5215449

SCHEMBL5215449

CC(=O)Nc1ncc(SC#N)s1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 18/20 0.55
CDK2 P24941 18/20 0.55
CDK4 P11802 10/20 0.55
CDK1 P06493 8/20 0.55
CCNE2 O96020 16/20 0.52
CCND1 P24385 9/20 0.52
CCNB2 O95067 7/20 0.52
CCNB1 P14635 7/20 0.52
CCNB3 Q8WWL7 7/20 0.52
CCND2 P30279 1/20 0.48
CCND3 P30281 1/20 0.48
MYC P01106 1/20 0.47
WDR5 P61964 1/20 0.47
CDK5 Q00535 1/20 0.41

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
SCHEMBL998733 0.84 MYC (0.51) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL9096131 0.82 CCNE1 (0.61) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL5216130 0.81 MYC (0.44) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL1133564 0.79 SMN1; SMN2 (0.42) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL5216840 0.79 CCNE1 (0.67) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL16731888 0.76 CCNE1 (0.68) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL8993668 0.76 MYC (0.51) CCNE1CDK2CDK4CDK1MYC
SCHEMBL2690664 0.76 FFAR2 (0.53) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL27479700 0.75 CCNE1 (0.58) CCNE1CDK2CDK4CDK1CCNE2
SCHEMBL14394710 0.75 MYC (0.44) CCNE1CDK2CDK4CDK1CCNE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10745377-B2 Piperidine or piperazine linked imidazole and triazole derivatives and methods of use MERCK SHARP & DOHME CORP. (US) 2020-08-18 US disclosed
EP-3068390-B1 PIPERAZINE-IMIDAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME (US) 2019-06-26 EP disclosed
US-20160297792-A1 PIPERIDINE OR PIPERAZINE LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2016-10-13 US disclosed
US-20160297792-A1 PIPERIDINE OR PIPERAZINE LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2016-10-13 US disclosed
WO-2015073310-A1 PIPERIDINE OR PIPERAZINE LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2015-05-21 WO disclosed
WO-2015070367-A1 PIPERIDINE OR PIPERAZINE LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG MERCK SHARP & DOHME CORP. (US) 2015-05-21 WO disclosed
EP-1042307-B1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL MYERS SQUIBB CO (US) 2007-10-03 EP disclosed
CN-1160343-C Aminothiazole inhibitors of cyclin dependent protein kinasses of cells ����˹�ж�-����˹˹������˾ 2004-08-04 CN disclosed
CN-1433408-A Aminothiazole inhibitors of cyslin dependent kinases BRISTOL MYERS SQUIBB CO (US) 2003-07-30 CN disclosed
US-6521759-B2 Anticancer, antiarthritic, and antiinflammatory agents BRISTOL-MYERS SQUIBB COMPANY 2003-02-18 US disclosed
EP-1240153-A1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES Bristol-Myers Squibb Company (US) 2002-09-18 EP disclosed
US-6262096-B1 IN COMBINATION WITH A MODULATOR OF P53 TRANSACTIVATION FORMULATED AS A FIXED DOSE. BRISTOL-MYERS SQUIBB COMPANY 2001-07-17 US disclosed
WO-2001044217-A1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB CO. (US) 2001-06-21 WO disclosed
CN-1278806-A Aminothiazole inhibitors of cyclin dependent protein kinasses of cells BRISTOL MYERS SQUIBB CO (US) 2001-01-03 CN disclosed
EP-1042307-A1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-10-11 EP disclosed
US-6040321-A ENZYME INHIBITOR TREATING CANCER, INFLAMMATION AND ARTHRITIS, NEURODEGENERATIVE DISEASES SUCH AS ALZHEIMER'S DISEASE, CARDIOVASCULAR DISEASES, VIRAL DISEASES AND FUNGAL DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2000-03-21 US disclosed
WO-1999024416-A1 AMINOTHIAZOLE INHIBITORS OF CYCLIN DEPENDENT KINASES BRISTOL-MYERS SQUIBB COMPANY (US) 1999-05-20 WO disclosed
US-5491157-A USING 2-AMINO-5-THIAZOLYL THIOCYANATE EASTMAN KODAK COMPANY (US) 1996-02-13 US disclosed
EP-0625307-A1 Method and composition for the control of soilborne fungi and prevention of diseases caused by them AMERICAN CYANAMID COMPANY (US) 1994-11-23 EP disclosed
CN-1094890-A The fungi that soil has and due to the method and composition of prevention, control and improvement of disease AMERICAN AYANAMID COMPANY (US) 1994-11-16 CN 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 (2 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-10745377-B2 Piperidine or piperazine linked imidazole and triazole derivatives and methods of use CYP3A5, CYP3A43, CYP3A4 CCNE1 3099/4885CDK2 1022/4885CDK4 889/4885
US-20160297792-A1 PIPERIDINE OR PIPERAZINE LINKED IMIDAZOLE AND TRIAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR IMPROVING THE PHARMACOKINETICS OF A DRUG CYP3A5, CYP3A43, CYP3A7 CCNE1 3242/4885CDK2 1456/4885CDK4 1144/4885

“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.