SCHEMBL22164997

SCHEMBL22164997

CN(C)[C@H]1CCN(c2ccc(Nc3ncc4cc(C#N)c(=O)n(C5CCCC5)c4n3)nc2)C1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 6/20 0.73
CDK1 P06493 2/20 0.73
CDK4 P11802 19/20 0.65
CDK6 Q00534 5/20 0.65
CCND1 P24385 14/20 0.62
CCNA2 P20248 5/20 0.62
FGFR1 P11362 5/20 0.62
PIK3CD O00329 1/20 0.62
PRKAB2 O43741 1/20 0.62
NUAK1 O60285 1/20 0.62
CCNT1 O60563 1/20 0.62
ABL1 P00519 1/20 0.62
FYN P06241 1/20 0.62
CSF1R P07333 1/20 0.62
RET P07949 1/20 0.62
PDGFRB P09619 1/20 0.62
CCNB1 P14635 1/20 0.62
CCNE1 P24864 1/20 0.62
MARK3 P27448 1/20 0.62
FLT3 P36888 1/20 0.62

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
SCHEMBL22165001 1.00 CDK2 (0.73) CDK2CDK1CDK4CDK6CCND1
SCHEMBL22165128 0.91 CDK4 (0.75) CDK2CDK1CDK4CDK6CCND1
SCHEMBL22165131 0.91 CDK4 (0.75) CDK2CDK1CDK4CDK6CCND1
SCHEMBL24618817 0.89 CDK4 (0.68) CDK2CDK1CDK4CDK6CCND1
SCHEMBL29507745 0.86 CDK4 (0.65) CDK2CDK1CDK4CDK6CCND1
SCHEMBL22860561 0.86 CDK4 (0.65) CDK2CDK1CDK4CDK6CCND1
SCHEMBL22171164 0.85 CDK4 (0.77) CDK2CDK4CCND1CCNA2FGFR1
SCHEMBL22165247 0.85 CDK4 (0.64) CDK2CDK1CDK4CDK6CCND1
SCHEMBL22165244 0.85 CDK4 (0.64) CDK2CDK1CDK4CDK6CCND1
SCHEMBL22165319 0.85 CDK4 (0.68) CDK2CDK1CDK4CDK6CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-07-14 US claimed
WO-2020140053-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 WO claimed
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-07-14 US disclosed
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-07-14 US disclosed
WO-2020140053-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 WO disclosed
WO-2020140053-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. (US) 2020-07-02 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-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK CDK2 1/4885CDK1 2/4885CDK4 9/4885

“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.