SCHEMBL21245641

SCHEMBL21245641

CC(C)N1CCOc2c(F)cc(Br)cc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK6 Q00534 19/20 0.43
CDK4 P11802 17/20 0.43
CCNA2 P20248 4/20 0.41
CDK2 P24941 4/20 0.41
CSF1R P07333 13/20 0.41
PIK3CD O00329 3/20 0.40
CCNK O75909 1/20 0.40
CDK9 P50750 1/20 0.40
CCNE1 P24864 1/20 0.40

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
SCHEMBL21245755 0.82 CNR1 (0.38) CDK6CDK4CCNA2CDK2CSF1R
SCHEMBL21245682 0.80 CSF1R (0.37) CDK6CDK4CSF1RPIK3CD
SCHEMBL21245553 0.78 CDK4 (0.43) CDK6CDK4CCNA2CDK2CSF1R
SCHEMBL20719131 0.76 PTGER3 (0.40) CDK6CDK4CSF1RPIK3CD
SCHEMBL29674819 0.75 CDK6 (0.41) CDK6CDK4CCNA2CDK2CSF1R
SCHEMBL21245840 0.74 CDK4 (0.39) CDK6CDK4CCNA2CDK2CSF1R
SCHEMBL23407701 0.74 NOTUM (0.48)
SCHEMBL21245883 0.74 CSF1R (0.41) CDK6CDK4CSF1R
SCHEMBL21245567 0.74 CDK4 (0.41) CDK6CDK4CCNA2CDK2CSF1R
SCHEMBL29961875 0.73 CDK6 (0.39) CDK6CDK4CCNA2CDK2CSF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023205892-A1 CDK INHIBITORS AND PHARMACEUTICAL USES THEREOF Risen (Suzhou) Pharma Tech Co., Ltd. (CN) 2023-11-02 WO disclosed
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 US disclosed
US-20220347187-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO OPERATING COMPANY LLC 2022-11-03 US disclosed
EP-4013743-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2022-06-22 EP disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 US disclosed
WO-2021030623-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2021-02-18 WO disclosed
CN-112334451-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2021-02-05 CN disclosed
EP-3752491-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2020-12-23 EP disclosed
WO-2019161224-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS GiraFpharma LLC (US) 2019-08-22 WO disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 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-20220347187-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CDK6 2/4885CDK4 1/4885CCNA2 38/4885
US-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 CDK6 1/4885CDK4 2/4885CCNA2 33/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CDK6 2/4885CDK4 1/4885CCNA2 38/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CDK6 2/4885CDK4 1/4885CCNA2 38/4885

“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.