SCHEMBL3298928

SCHEMBL3298928

Cc1cc(C)c(CNc2nc(F)nc3[nH]cnc23)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 3/20 0.41
CDK4 P11802 3/20 0.41
CDK2 P24941 3/20 0.41
CDK9 P50750 3/20 0.41
CCNT1 O60563 2/20 0.41
CCNB1 P14635 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK7 P50613 2/20 0.41
CDK5 Q00535 2/20 0.41
CCNT2 O60583 1/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
CASK O14936 1/20 0.41
CCNA2 P20248 1/20 0.41
GSK3A P49840 1/20 0.41
CCNH P51946 1/20 0.41
CDK5R1 Q15078 1/20 0.41
MAPK15 Q8TD08 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41

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
SCHEMBL30539331 1.00 CDK1 (0.41) CDK1CDK4CDK2CDK9CCNT1
SCHEMBL23683275 0.85 CDK1 (0.41) CDK1CDK4CDK2CDK9CCNT1
SCHEMBL20442833 0.85 CDK1 (0.41) CDK1CDK4CDK2CDK9CCNT1
SCHEMBL20442841 0.82 SLC6A4 (0.33) CDK1CDK4CDK2CDK9CCNT1
SCHEMBL17450144 0.80 AURKA (0.41) ABL1SRCJAK3
SCHEMBL3300224 0.80 CDK2 (0.38) CDK2CDK9CDK7CDK5GSK3A
SCHEMBL3302949 0.79 PDE10A (0.42) CDK2CDK9ABL1
SCHEMBL3299442 0.78 CYP1A2 (0.40) CDK7CDK5GSK3AABL1PTK2
SCHEMBL29100402 0.74 CDK1 (0.49) CDK1CDK4CDK2CDK9CCNT1
SCHEMBL3298449 0.74 CDK2 (0.40) CDK2CDK9SLC40A1

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116813621-A 9H purine compounds, pharmaceutical composition and application thereof 江南大学 2023-09-29 CN disclosed
EP-4212533-A1 PROCESS FOR PREPARING PURINE DERIVATIVES Cyclacel Limited (GB) 2023-07-19 EP disclosed
US-20230104823-A1 PROCESS FOR THE PREPARATION OF PURINE DERIVATIVES EXHIBITING CDK INHIBITORY ACTIVITY CYCLACEL LIMITED (GB) 2023-04-06 US disclosed
EP-3573988-B1 PROCESS FOR PREPARING PURINE DERIVATIVES CYCLACEL LTD (GB) 2022-12-28 EP disclosed
WO-2022187693-A1 COVALENT CDK2-BINDING COMPOUNDS FOR THERAPEUTIC PURPOSES UMBRA THERAPEUTICS INC. (US) 2022-09-09 WO disclosed
US-10927113-B2 Process for preparing purine derivatives CYCLACEL LIMITED (GB) 2021-02-23 US disclosed
WO-2018138500-A1 PROCESS FOR PREPARING PURINE DERIVATIVES CYCLACEL LIMITED (GB) 2018-08-02 WO disclosed
US-9173938-B2 Combination of a purine-based CDK inhibitor with a tyrosine kinase inhibitor and use thereof in the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2015-11-03 US disclosed
US-9173938-B2 Combination of a purine-based CDK inhibitor with a tyrosine kinase inhibitor and use thereof in the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2015-11-03 US disclosed
US-9173938-B2 Combination of a purine-based CDK inhibitor with a tyrosine kinase inhibitor and use thereof in the treatment of proliferative disorders CYCLACEL LIMITED (GB) 2015-11-03 US disclosed
US-20100093769-A1 COMPOUNDS CYCLACEL LIMITED (GB) 2010-04-15 US disclosed
US-20100093769-A1 COMPOUNDS CYCLACEL LIMITED (GB) 2010-04-15 US disclosed
US-20100093769-A1 COMPOUNDS CYCLACEL LIMITED (GB) 2010-04-15 US disclosed
CN-101679434-A Has 2,6 of anti proliferative properties, the purine derivative that 9-replaces CYCLACEL LTD 2010-03-24 CN disclosed
EP-2139893-A2 2,6,9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTIPROLIFERATIVE PROPERTIES Cyclacel Limited (GB) 2010-01-06 EP disclosed
EP-2139486-A1 COMBINATION OF A PURINE-BASED CDK INHIBITOR WITH A TYROSINE KINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF PROLIFERATIVE DISORDERS Cyclacel Limited (GB) 2010-01-06 EP disclosed
WO-2008122767-A2 2, 6, 9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTI PROLIFERATIVE PROPERTIES CYCLACEL LIMITED (GB) 2008-10-16 WO disclosed
WO-2008122767-A2 2, 6, 9-SUBSTITUTED PURINE DERIVATIVES HAVING ANTI PROLIFERATIVE PROPERTIES CYCLACEL LIMITED (GB) 2008-10-16 WO disclosed
WO-2008122779-A1 COMBINATION OF A PURINE-BASED CDK INHIBITOR WITH A TYROSINE KINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2008-10-16 WO disclosed
WO-2008122779-A1 COMBINATION OF A PURINE-BASED CDK INHIBITOR WITH A TYROSINE KINASE INHIBITOR AND USE THEREOF IN THE TREATMENT OF PROLIFERATIVE DISORDERS CYCLACEL LIMITED (GB) 2008-10-16 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 (3 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-20100093769-A1 COMPOUNDS CCR9, NPY1R, BCL9 CDK1 512/4885CDK4 1185/4885CDK2 1751/4885
US-10927113-B2 Process for preparing purine derivatives CTR9, PNP, C5 CDK1 2024/4885CDK4 3592/4885CDK2 2940/4885
US-20230104823-A1 PROCESS FOR THE PREPARATION OF PURINE DERIVATIVES EXHIBITING CDK INHIBITORY ACTIVITY CDK9, CDK19, CDK7 CDK1 5/4885CDK4 14/4885CDK2 10/4885

“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.