SCHEMBL17469717

SCHEMBL17469717

CC(C)c1c2cc(-c3nc(Br)ncc3F)ccc2nn1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK4 P11802 11/20 0.54
▸ CCND1 P24385 11/20 0.54
▸ CDK6 Q00534 11/20 0.54
▸ CDK9 P50750 11/20 0.54
▸ CCNT1 O60563 10/20 0.54
▸ CDK2 P24941 4/20 0.54
▸ CDK1 P06493 3/20 0.54
▸ CCNB1 P14635 2/20 0.54
▸ CCNE1 P24864 2/20 0.54
▸ CDK5 Q00535 2/20 0.54
▸ CDK5R1 Q15078 2/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ KCNH2 Q12809 1/20 0.54
▸ CCND3 P30281 2/20 0.39
▸ CDK8 P49336 3/20 0.39
▸ CCNC P24863 2/20 0.39
▸ CDK7 P50613 2/20 0.39
▸ CCNH P51946 2/20 0.39
▸ MNAT1 P51948 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
SCHEMBL24304984 0.87 CDK4 (0.55) CDK4CCND1CDK6CDK9CCNT1
SCHEMBL21345115 0.86 CDK6 (0.61) CDK4CCND1CDK6CDK9CCNT1
SCHEMBL18081420 0.86 CDK4 (0.54) CDK4CCND1CDK6CDK9CCNT1
SCHEMBL17459809 0.86 CDK6 (0.54) CDK4CCND1CDK6CDK9CCNT1
SCHEMBL21345192 0.81 CDK6 (0.61) CDK4CCND1CDK6CDK9CCNT1
SCHEMBL28434216 0.75 CDK6 (0.68) CDK4CCND1CDK6CDK9CCNT1
SCHEMBL18081385 0.75 CDK4 (0.44) CDK4CCND1CDK6CDK9CCNT1
SCHEMBL18081363 0.72 CDK6 (0.68) CDK4CCND1CDK6CDK9CCNT1
SCHEMBL17459798 0.71 HTT (0.42) CDK4CCND1CDK6CDK9CCNT1
SCHEMBL21331753 0.71 CDK4 (0.63) CDK4CCND1CDK6CDK9CCNT1

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 5 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 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
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 (1 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-20170210726-A1 2-H-INDAZOLE DERIVATIVES AS CYCLIN-DEPENDENT KINASE (CDK) INHIBITORS AND THERAPEUTIC USES THEREOF CDK4, CDK3, CDK6 CDK4 1/4885CCND1 35/4885CDK6 3/4885

“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.

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