SCHEMBL4528273

SCHEMBL4528273

Nc1ccc(N2CCC(O)C2)cn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.49
CDK2 P24941 2/20 0.49
ABL1 P00519 1/20 0.45
AR P10275 1/20 0.44
PIK3CA P42336 2/20 0.43
MTOR P42345 2/20 0.43
CHRNB2 P17787 3/20 0.42
CHRNA4 P43681 3/20 0.42
MAPT P10636 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.40
CDK4 P11802 3/20 0.39
CDK6 Q00534 3/20 0.39
AOC3 Q16853 1/20 0.39
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
STAT6 P42226 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
SMPD3 Q9NY59 1/20 0.38

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
SCHEMBL4721289 1.00 CDK1 (0.49) CDK1CDK2ABL1ARPIK3CA
SCHEMBL13769145 1.00 CDK1 (0.49) CDK1CDK2ABL1ARPIK3CA
SCHEMBL29618159 1.00 CDK1 (0.49) CDK1CDK2ABL1ARPIK3CA
SCHEMBL29891246 0.92 MAPT (0.49) CDK1CDK2ABL1PIK3CAMTOR
SCHEMBL619825 0.92 MAPT (0.49) CDK1CDK2ABL1PIK3CAMTOR
SCHEMBL30316026 0.90 SMPD3 (0.47) CDK1CDK2ABL1CHRNB2CHRNA4
SCHEMBL17796348 0.90 SMPD3 (0.47) CDK1CDK2ABL1CHRNB2CHRNA4
SCHEMBL17799085 0.90 SMPD3 (0.47) CDK1CDK2ABL1CHRNB2CHRNA4
SCHEMBL30316041 0.90 SMPD3 (0.47) CDK1CDK2ABL1CHRNB2CHRNA4
SCHEMBL17054803 0.90 SMPD3 (0.47) CDK1CDK2ABL1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114641476-B Preparation and application of protein receptor kinase inhibitors 上海轶诺药业有限公司 2023-05-02 CN disclosed
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 US disclosed
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 US disclosed
CN-114641476-A Preparation and application of protein receptor kinase inhibitor 上海轶诺药业有限公司 2022-06-17 CN disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 US disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 US disclosed
WO-2021098745-A1 PREPARATION AND APPLICATION OF A CLASS OF PROTEIN RECEPTOR KINASE INHIBITORS 上海轶诺药业有限公司 2021-05-27 WO disclosed
CN-112812118-A Preparation and application of protein receptor kinase inhibitor 上海轶诺药业有限公司 2021-05-18 CN 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
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 US disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 US disclosed
US-20090036474-A1 Quinazoline derivatives for use against cancer PLE PATRICK 2009-02-05 US disclosed
EP-1907398-A1 THERAPEUTIC AGENTS AstraZeneca AB (SE) 2008-04-09 EP disclosed
EP-1802608-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER AstraZeneca AB (SE) 2007-07-04 EP disclosed
WO-2007011284-A1 THERAPEUTIC AGENTS ASTRAZENECA AB (SE) 2007-01-25 WO disclosed
WO-2006040526-A1 QUINAZOLINE DERIVATIVES FOR USE AGAINST CANCER ASTRAZENECA AB (SE) 2006-04-20 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-20090036474-A1 Quinazoline derivatives for use against cancer AQP3, AQP1, F12 CDK1 63/4885CDK2 135/4885ABL1 168/4885
US-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 CDK1 8/4885CDK2 4/4885ABL1 276/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CDK1 9/4885CDK2 6/4885ABL1 370/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 CDK1 9/4885CDK2 6/4885ABL1 370/4885

“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.