SCHEMBL22165286

SCHEMBL22165286

Cn1cc(-c2ccc(N)c(C(C)(C)C)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PI4KA P42356 1/20 0.49
PIK3CG P48736 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
AURKA O14965 1/20 0.46
TTK P33981 1/20 0.46
AURKB Q96GD4 1/20 0.46
INCENP Q9NQS7 1/20 0.46
KCNH2 Q12809 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
KDM1A O60341 2/20 0.43
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
LRRK2 Q5S007 2/20 0.43
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL18213821 0.85 KCNH2 (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL17476796 0.82 AURKB (0.55) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL17806541 0.81 KCNH2 (0.60) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL16979649 0.79 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL2154357 0.79 PGR (0.50) KCNH2
SCHEMBL19387988 0.79 KCNH2 (0.45) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL15507821 0.79 ALDH1A1 (0.59) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL15889400 0.78 TTK (0.43) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL15889367 0.78 PDK2 (0.44) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL17806518 0.78 KCNH2 (0.50) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-03-02 US disclosed
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2023-02-16 US disclosed
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS SPV THERAPEUTICS INC. 2022-07-14 US disclosed
WO-2020140052-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 (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-20230065740-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK PIK3CD 370/4885PIK3CA 391/4885PIK3CB 318/4885
US-20220220103-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK PIK3CD 370/4885PIK3CA 391/4885PIK3CB 318/4885
US-20230048132-A1 CYCLIN-DEPENDENT KINASE INHIBITORS CDK2, CDK1, CCNK PIK3CD 370/4885PIK3CA 391/4885PIK3CB 318/4885

“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.