SCHEMBL6893513

SCHEMBL6893513

CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)n2ncc(Br)c2n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.59
CDK5 Q00535 9/20 0.58
CDK5R1 Q15078 9/20 0.58
KDM4E B2RXH2 7/20 0.58
CDK2 P24941 6/20 0.58
MAPT P10636 5/20 0.58
CCNA2 P20248 5/20 0.58
CCNA1 P78396 5/20 0.58
CCNB1 P14635 4/20 0.58
MAPK1 P28482 4/20 0.58
DYRK1A Q13627 4/20 0.58
MEN1 O00255 3/20 0.58
CYP1A2 P05177 3/20 0.58
CYP3A4 P08684 3/20 0.58
CYP2C9 P11712 3/20 0.58
KMT2A Q03164 3/20 0.58
CCNB2 O95067 3/20 0.58
ALDH1A1 P00352 3/20 0.58
CCNB3 Q8WWL7 3/20 0.58
TP53 P04637 2/20 0.58

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
SCHEMBL6893510 1.00 CDK1 (0.59) CDK1CDK5CDK5R1KDM4ECDK2
SCHEMBL6893517 0.77 CDK5 (0.47) CDK1CDK5CDK5R1KDM4ECDK2
SCHEMBL1918665 0.76 CDK2 (0.56) CDK1CDK5CDK5R1CDK2MAPT
SCHEMBL6885247 0.74 SRC (0.48) KDM4EMAPTMAPK1MEN1CYP1A2
Purvalanola SCHEMBL3311119 0.74 CDK5 (1.00) CDK1CDK5CDK5R1KDM4ECDK2
SCHEMBL3445128 0.74 CDK1 (0.72) CDK1CDK5CDK5R1KDM4ECDK2
SCHEMBL1918958 0.74 CDK2 (0.58) CDK1CDK5CDK5R1CDK2CCNA2
SCHEMBL3445316 0.74 CDK1 (0.72) CDK1CDK5CDK5R1KDM4ECDK2
Purvalanola SCHEMBL29360281 0.74 CDK5 (1.00) CDK1CDK5CDK5R1KDM4ECDK2
Purvalanola SCHEMBL30375366 0.74 CDK5 (1.00) CDK1CDK5CDK5R1KDM4ECDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040048849-A1 Cyclin-dependent kinase (cdk) and glycolene synthase kinase-3 (gsk-3) inhibitors IPSEN PHARMA S.A.S. (FR) 2004-03-11 US claimed
US-20040138245-A1 Product comprising mikanolide, dihydromikanolide or an analogue thereof combine with another anti-cancer agent for therapeutic use in cancer treatment SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-07-15 US disclosed
US-20040048849-A1 Cyclin-dependent kinase (cdk) and glycolene synthase kinase-3 (gsk-3) inhibitors IPSEN PHARMA S.A.S. (FR) 2004-03-11 US 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 (2 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-20040048849-A1 Cyclin-dependent kinase (cdk) and glycolene synthase kinase-3 (gsk-3) inhibitors CDK1, CDK3, CDKL3 CDK1 1/4885CDK5 37/4885CDK5R1 51/4885
US-20040138245-A1 Product comprising mikanolide, dihydromikanolide or an analogue thereof combine with another anti-cancer agent for therapeutic use in cancer treatment DTYMK, DGKG, DGKZ CDK1 925/4885CDK5 988/4885CDK5R1 951/4885

“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.