SCHEMBL5840458

SCHEMBL5840458

CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(Cl)nc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 12/20 0.74
CDK5R1 Q15078 11/20 0.74
CCNA2 P20248 7/20 0.74
CDK2 P24941 7/20 0.74
CCNA1 P78396 7/20 0.74
CDK1 P06493 6/20 0.73
CCNB1 P14635 5/20 0.73
CCNB2 O95067 3/20 0.73
CCNB3 Q8WWL7 3/20 0.73
DYRK1A Q13627 7/20 0.72
EIF2AK2 P19525 1/20 0.69
GSK3B P49841 1/20 0.69
MERTK Q12866 1/20 0.69
KDM4E B2RXH2 4/20 0.67
MAPT P10636 3/20 0.67
MAPK1 P28482 2/20 0.67
CDK4 P11802 2/20 0.67
MEN1 O00255 1/20 0.67
PAK4 O96013 1/20 0.67
CCNE2 O96020 1/20 0.67

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
SCHEMBL29444630 1.00 CDK5 (0.74) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL20549706 0.89 CDK5 (0.73) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5839477 0.88 CDK5 (0.72) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5749121 0.88 CDK1 (0.70) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5827777 0.88 CDK5 (0.79) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL21282802 0.87 CDK1 (0.74) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5839709 0.86 CDK5 (0.69) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL17212873 0.85 CDK5 (1.00) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL28302070 0.84 CDK1 (1.00) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL4489273 0.84 CDK5 (0.66) CDK5CDK5R1CCNA2CDK2CCNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11337981-B2 Dual CLK/CDK1 inhibitors for cancer treatment SRI INTERNATIONAL (US) 2022-05-24 US disclosed
US-20200390772-A1 DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT SRI INTERNATIONAL 2020-12-17 US disclosed
US-10722515-B2 Dual CLK/CDK1 inhibitors for cancer treatment SRI INTERNATIONAL (US) 2020-07-28 US disclosed
US-10722515-B2 Dual CLK/CDK1 inhibitors for cancer treatment SRI INTERNATIONAL (US) 2020-07-28 US disclosed
US-20190255059-A1 DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT SRI INTERNATIONAL 2019-08-22 US disclosed
US-20190255059-A1 DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT SRI INTERNATIONAL 2019-08-22 US disclosed
WO-2018064545-A1 DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT SRI INTERNATIONAL (US) 2018-04-05 WO disclosed
US-7091346-B1 Purine derivatives and processes for their preparation NOVARTIS AG (CH) 2006-08-15 US disclosed
EP-0874846-B1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 2003-04-02 EP disclosed
CN-1066147-C Purine derivatives and process for preparing same 诺瓦提斯公司 2001-05-23 CN disclosed
CN-1202896-A Purine derivatives and processes for their preparation 诺瓦提斯公司 1998-12-23 CN disclosed
EP-0874846-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Novartis AG (CH) 1998-11-04 EP disclosed
WO-1997016452-A1 PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION NOVARTIS AG (CH) 1997-05-09 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-11337981-B2 Dual CLK/CDK1 inhibitors for cancer treatment CLK2, CLK1, CLK3 CDK5 40/4885CDK5R1 131/4885CCNA2 294/4885
US-20200390772-A1 DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT CLK2, CLK1, CLK3 CDK5 40/4885CDK5R1 131/4885CCNA2 294/4885
US-10722515-B2 Dual CLK/CDK1 inhibitors for cancer treatment CLK2, CLK1, CLK3 CDK5 40/4885CDK5R1 131/4885CCNA2 294/4885
US-20190255059-A1 DUAL CLK/CDK1 INHIBITORS FOR CANCER TREATMENT CLK2, CLK1, CLK3 CDK5 63/4885CDK5R1 200/4885CCNA2 379/4885

“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.