SCHEMBL6890102

SCHEMBL6890102

CSc1nc(NCc2cccnc2)n2ncc(C#N)c2n1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 7/20 0.52
GSK3B P49841 7/20 0.47
PGK1 P00558 1/20 0.45
CDK2 P24941 1/20 0.45
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
PPARG P37231 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
SCHEMBL1918027 0.84 GSK3B (0.66) GSK3BCDK2
Hydrochloric Acid SCHEMBL6895081 0.83 GSK3B (0.64) GSK3BCDK2
SCHEMBL14194734 0.83 GSK3B (0.57) GSK3BCDK2ALDH1A1HPGDKDM4E
SCHEMBL6892622 0.81 GSK3B (0.47) GSK3BCDK2ALDH1A1HPGDKDM4E
SCHEMBL6891061 0.80 GSK3B (0.46) GSK3BCDK2CYP1A2CYP3A4TDP1
SCHEMBL6886976 0.80 KDM4E (0.48) GSK3BCDK2ALDH1A1HPGDKDM4E
SCHEMBL14194730 0.80 GSK3B (0.48) GSK3BCDK2PPARG
SCHEMBL6890465 0.80 GSK3B (0.46) GSK3BALDH1A1PPARG
SCHEMBL6886202 0.78 CDK2 (0.52) GSK3BCDK2ALDH1A1KDM4ECYP1A2
SCHEMBL6889269 0.77 CDK2 (0.46) GSK3BCDK2PPARG

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 9 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
EP-1345941-A1 CYCLIN-DEPENDENT KINASE (CDK) AND GLYCOLENE SYNTHASE KINASE-3 (GSK-3) INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-09-24 EP claimed
WO-2002050079-A1 CYCLIN-DEPENDENT KINASE (CDK) AND GLYCOLENE SYNTHASE KINASE-3 (GSK-3) INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-06-27 WO claimed
EP-1438039-A2 PRODUCT COMPRISING MIKANOLIDE, DIHYDROMIKANOLIDE OR AN ANALOGUE THEREOF COMBINED 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) 2004-07-21 EP disclosed
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
EP-1345941-A1 CYCLIN-DEPENDENT KINASE (CDK) AND GLYCOLENE SYNTHASE KINASE-3 (GSK-3) INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-09-24 EP disclosed
WO-2002096348-A2 PRODUCT COMPRISING MIKANOLIDE, DIHYDROMIKANOLIDE OR AN ANALOGUE THEREOF COMBINED 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) 2002-12-05 WO disclosed
WO-2002050079-A1 CYCLIN-DEPENDENT KINASE (CDK) AND GLYCOLENE SYNTHASE KINASE-3 (GSK-3) INHIBITORS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-06-27 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 (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 CSNK2A1 326/4885GSK3B 25/4885PGK1 48/4885
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 CSNK2A1 1904/4885GSK3B 2441/4885PGK1 65/4885

“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.