SCHEMBL6891061

SCHEMBL6891061

CSc1nc(NCc2cccnc2)n2ncc(CN(C)C)c2n1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.46
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CCNE1 P24864 4/20 0.42
CDK2 P24941 4/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
PPARG P37231 1/20 0.40
PDE9A O76083 1/20 0.38

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
SCHEMBL14194734 0.89 GSK3B (0.57) GSK3BHSD17B10CCNE1CDK2PPARG
SCHEMBL1918027 0.83 GSK3B (0.66) GSK3BCCNE1CDK2
Hydrochloric Acid SCHEMBL6895081 0.82 GSK3B (0.64) GSK3BCCNE1CDK2
SCHEMBL6889269 0.82 CDK2 (0.46) GSK3BCCNE1CDK2PPARG
SCHEMBL6895330 0.81 JAK2 (0.45) GSK3BCYP1A2CYP3A4CYP2D6CCNE1
SCHEMBL6890102 0.80 CSNK2A1 (0.52) GSK3BCYP1A2CYP3A4TDP1CDK2
SCHEMBL6892622 0.80 GSK3B (0.47) GSK3BCYP1A2CYP2D6HSD17B10CCNE1
SCHEMBL6886976 0.80 KDM4E (0.48) GSK3BHSD17B10CCNE1CDK2PPARG
SCHEMBL14194730 0.80 GSK3B (0.48) GSK3BCDK2PPARG
SCHEMBL6890465 0.79 GSK3B (0.46) GSK3BPPARG

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 7 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
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

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 GSK3B 25/4885CYP1A2 483/4885CYP3A4 855/4885
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 GSK3B 2441/4885CYP1A2 4006/4885CYP3A4 3179/4885

“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.