SCHEMBL13450366

SCHEMBL13450366

CCc1cnc(C(C)C)o1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 2/20 0.33
CCNE2 O96020 2/20 0.33
CDK1 P06493 2/20 0.33
CDK4 P11802 2/20 0.33
CCNB1 P14635 2/20 0.33
CCND1 P24385 2/20 0.33
CCNE1 P24864 2/20 0.33
CDK2 P24941 2/20 0.33
CCNB3 Q8WWL7 2/20 0.33

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
SCHEMBL2308457 0.81
SCHEMBL19220574 0.81 POLB (0.33)
SCHEMBL19558774 0.80 CCNB2 (0.31) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL13561286 0.78 MEN1 (0.38)
SCHEMBL13561294 0.78 ACHE (0.36)
SCHEMBL18895693 0.77 MAPT (0.35)
SCHEMBL15625395 0.75 AGBL2 (0.33) CCNB2CCNE2CDK1CDK4CCNB1
SCHEMBL24608447 0.74
SCHEMBL12824205 0.73
SCHEMBL20273003 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024026500-A2 INHIBITORS OF PDE11A4 AND METHODS OF USING SAME UNIVERSITY OF MARYLAND, BALTIMORE (US) 2024-02-01 WO disclosed
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor JAPAN TOBACCO INC. (JP) 2023-12-14 US disclosed
US-20220396587-A1 MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-12-15 US disclosed
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES BAYER AG (DE) 2020-12-17 US disclosed
US-10752611-B2 Benzimidazole derivatives ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-10646494-B2 Heterocycle-substituted tetracyclic compounds and methods of use thereof for the treatment of viral diseases MERCK SHARP & DOHME CORP. (US) 2020-05-12 US disclosed
US-20170239351-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, a PD-1 Inhibitor, and/or a PD-L1 Inhibitor ACERTA PHARMA BV (NL) 2017-08-24 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES ENANTA PHARM INC (US) 2017-04-27 US disclosed
US-20170079960-A1 INSULIN SENSITISERS AND METHODS OF TREATMENT NAIA Metabolic, Inc. 2017-03-23 US disclosed
US-20170057960-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-03-02 US disclosed
US-9181273-B2 Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-11-10 US disclosed
US-20150025073-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-01-22 US disclosed
US-8828996-B2 Morpholine-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-09 US disclosed
US-20120264749-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-10-18 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 (11 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-20170114046-A1 NOVEL BENZIMIDAZOLE DERIVATIVES EIF2AK2, ZC3HAV1, HAVCR2 CCNB2 755/4885CCNE2 99/4885CDK1 126/4885
US-20200390100-A1 SUBSTITUTED N-HETEROCYCLYL- AND N-HETEROARYL-TETRAHYDROPYRIMIDINONES AND THE SALTS THEREOF, AND THE USE OF SAME AS HERBICIDAL ACTIVE SUBSTANCES DDT, NOTUM, AGPS CCNB2 1739/4885CCNE2 961/4885CDK1 1462/4885
US-10646494-B2 Heterocycle-substituted tetracyclic compounds and methods of use thereof for the treatment of viral diseases HAVCR2, HCCS, ZC3HAV1 CCNB2 763/4885CCNE2 148/4885CDK1 218/4885
US-20220396587-A1 MACROCYCLIC FUSED PYRRAZOLES AS MCL-1 INHIBITORS MCL1, BCL2A1, BCL2L1 CCNB2 295/4885CCNE2 427/4885CDK1 48/4885
US-20170079960-A1 INSULIN SENSITISERS AND METHODS OF TREATMENT GPR119, IRS1, SLC2A1 CCNB2 4800/4885CCNE2 4513/4885CDK1 3688/4885
US-20170057960-A1 INDOLIN-2-ONE AND 1,3-DIHYDRO-PYRROLO[3,2-c]PYRIDIN-2-ONE DERIVATIVES TPH1, TPH2, HTR1A CCNB2 299/4885CCNE2 835/4885CDK1 416/4885
US-20170239351-A1 Therapeutic Combinations of a BTK Inhibitor, a PI3K Inhibitor, a JAK-2 Inhibitor, a PD-1 Inhibitor, and/or a PD-L1 Inhibitor BTK, JAK1, PDCD1 CCNB2 1993/4885CCNE2 1436/4885CDK1 303/4885
US-20150025073-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPM5, KCNQ1 CCNB2 4145/4885CCNE2 3930/4885CDK1 3526/4885
US-20230399319-A1 Acylsulfamide Compound and Pharmaceutical Use Therefor NLRP3, NLRP1, NOD1 CCNB2 4764/4885CCNE2 4796/4885CDK1 4372/4885
US-20120264749-A1 MORPHOLINE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPM5, KCNQ1 CCNB2 4145/4885CCNE2 3930/4885CDK1 3526/4885
US-10752611-B2 Benzimidazole derivatives EIF2AK2, ZC3HAV1, ZC3HAV1L CCNB2 911/4885CCNE2 123/4885CDK1 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.