SCHEMBL17469761

SCHEMBL17469761

CC(C)c1c2cc(-c3nc(Nc4ccc(CN5CCN(C(C)C)CC5)cn4)ncc3F)ccc2nn1C

nearest known ligand 0.87

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 15/20 0.87
CCND1 P24385 11/20 0.87
CDK4 P11802 9/20 0.87
DYRK2 Q92630 5/20 0.70
CCNT1 O60563 1/20 0.65
CDK1 P06493 1/20 0.65
CYP2C9 P11712 1/20 0.65
CCNB1 P14635 1/20 0.65
CCNE1 P24864 1/20 0.65
CDK2 P24941 1/20 0.65
CYP2C19 P33261 1/20 0.65
CDK9 P50750 1/20 0.65
CDK5 Q00535 1/20 0.65
KCNH2 Q12809 1/20 0.65
CDK5R1 Q15078 1/20 0.65

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
SCHEMBL29518439 1.00 CDK6 (0.87) CDK6CCND1CDK4DYRK2CCNT1
SCHEMBL22313803 0.94 CDK6 (0.89) CDK6CCND1CDK4DYRK2CCNT1
Eciruciclib SCHEMBL17469895 0.93 CDK6 (1.00) CDK6CCND1CDK4DYRK2CCNT1
Eciruciclib SCHEMBL29518576 0.93 CDK6 (1.00) CDK6CCND1CDK4DYRK2CCNT1
Eciruciclib SCHEMBL29518577 0.93 CDK6 (1.00) CDK6CCND1CDK4DYRK2CCNT1
Eciruciclib SCHEMBL23145129 0.92 CDK6 (0.98) CDK6CCND1CDK4DYRK2CCNT1
SCHEMBL29518408 0.92 CDK6 (0.90) CDK6CCND1CDK4DYRK2CCNT1
SCHEMBL17469751 0.92 CDK6 (0.90) CDK6CCND1CDK4DYRK2CCNT1
SCHEMBL21208377 0.91 CDK6 (0.84) CDK6CCND1CDK4DYRK2CCNT1
SCHEMBL29518566 0.91 CDK6 (0.84) CDK6CCND1CDK4DYRK2CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191469-B1 2-H-INDAZOLE DERIVATIVES AS CYCLIN-DEPENDENT KINASE (CDK) INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA INC (US) 2021-12-15 EP claimed
US-9878994-B2 2-H-indazole derivatives as cyclin-dependent kinase (CDK) inhibitors and therapeutic uses thereof BETA PHARMA INC. (US) 2018-01-30 US claimed
US-20170210726-A1 2-H-INDAZOLE DERIVATIVES AS CYCLIN-DEPENDENT KINASE (CDK) INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA, INC. (US) 2017-07-27 US claimed
US-20220079944-A1 2H-INDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS FOR BRAIN CANCERS AND BRAIN METASTASES BETA PHARMA, INC. 2022-03-17 US disclosed
US-20220079944-A1 2H-INDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS FOR BRAIN CANCERS AND BRAIN METASTASES BETA PHARMA, INC. 2022-03-17 US disclosed
EP-3191469-B1 2-H-INDAZOLE DERIVATIVES AS CYCLIN-DEPENDENT KINASE (CDK) INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA INC (US) 2021-12-15 EP disclosed
WO-2021061695-A1 TREATMENT OF EGFR MUTANT-RELATED CANCERS USING A COMBINATION OF EGFR AND CDK4/6 INHIBITORS BETA PHARMA, INC. (US) 2021-04-01 WO disclosed
WO-2020159980-A1 2H-INDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS FOR BRAIN CANCERS AND BRAIN METASTASES BETA PHARMA, INC. (US) 2020-08-06 WO disclosed
US-10239864-B2 2-H-indazole derivatives as cyclin-dependent kinase (CDK) inhibitors and therapeutic uses thereof BETA PHARMA, INC. (US) 2019-03-26 US disclosed
US-10239864-B2 2-H-indazole derivatives as cyclin-dependent kinase (CDK) inhibitors and therapeutic uses thereof BETA PHARMA, INC. (US) 2019-03-26 US disclosed
US-20180148431-A1 2-H-INDAZOLE DERIVATIVES AS CYCLIN-DEPENDENT KINASE (CDK) INHIBOTORS AND THERAPEUTIC USES THEREOF BETA PHARMA, INC. (US) 2018-05-31 US disclosed
US-20180148431-A1 2-H-INDAZOLE DERIVATIVES AS CYCLIN-DEPENDENT KINASE (CDK) INHIBOTORS AND THERAPEUTIC USES THEREOF BETA PHARMA, INC. (US) 2018-05-31 US disclosed
US-20180148431-A1 2-H-INDAZOLE DERIVATIVES AS CYCLIN-DEPENDENT KINASE (CDK) INHIBOTORS AND THERAPEUTIC USES THEREOF BETA PHARMA, INC. (US) 2018-05-31 US disclosed
US-9878994-B2 2-H-indazole derivatives as cyclin-dependent kinase (CDK) inhibitors and therapeutic uses thereof BETA PHARMA INC. (US) 2018-01-30 US disclosed
US-9878994-B2 2-H-indazole derivatives as cyclin-dependent kinase (CDK) inhibitors and therapeutic uses thereof BETA PHARMA INC. (US) 2018-01-30 US disclosed
US-9878994-B2 2-H-indazole derivatives as cyclin-dependent kinase (CDK) inhibitors and therapeutic uses thereof BETA PHARMA INC. (US) 2018-01-30 US disclosed
US-20170210726-A1 2-H-INDAZOLE DERIVATIVES AS CYCLIN-DEPENDENT KINASE (CDK) INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA, INC. (US) 2017-07-27 US disclosed
US-20170210726-A1 2-H-INDAZOLE DERIVATIVES AS CYCLIN-DEPENDENT KINASE (CDK) INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA, INC. (US) 2017-07-27 US disclosed
US-20170210726-A1 2-H-INDAZOLE DERIVATIVES AS CYCLIN-DEPENDENT KINASE (CDK) INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA, INC. (US) 2017-07-27 US disclosed
WO-2016014904-A1 2-H-INDAZOLE DERIVATIVES AS CYCLIN-DEPENDENT KINASE (CDK) INHIBITORS AND THERAPEUTIC USES THEREOF BETA PHARMA, INC. (US) 2016-01-28 WO 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-10239864-B2 2-H-indazole derivatives as cyclin-dependent kinase (CDK) inhibitors and therapeutic uses thereof CDK4, CDK6, CDK2 CDK6 2/4885CCND1 37/4885CDK4 1/4885
US-20220079944-A1 2H-INDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS FOR BRAIN CANCERS AND BRAIN METASTASES CDK6, CDK4, CDK3 CDK6 1/4885CCND1 50/4885CDK4 2/4885
US-20180148431-A1 2-H-INDAZOLE DERIVATIVES AS CYCLIN-DEPENDENT KINASE (CDK) INHIBOTORS AND THERAPEUTIC USES THEREOF CDK4, CDK2, CDK3 CDK6 4/4885CCND1 41/4885CDK4 1/4885
US-20170210726-A1 2-H-INDAZOLE DERIVATIVES AS CYCLIN-DEPENDENT KINASE (CDK) INHIBITORS AND THERAPEUTIC USES THEREOF CDK4, CDK3, CDK6 CDK6 3/4885CCND1 35/4885CDK4 1/4885

“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.