SCHEMBL6895330

SCHEMBL6895330

CSc1nc(NCc2cccnc2)n2ncc(CN3CCOCC3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.45
JAK3 P52333 1/20 0.45
PTK2 Q05397 1/20 0.45
RAD52 P43351 1/20 0.43
GSK3B P49841 6/20 0.42
NAMPT P43490 1/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CA P42336 2/20 0.39
CYP1A2 P05177 2/20 0.39
CDK2 P24941 4/20 0.39
CCNE1 P24864 2/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6889269 0.90 CDK2 (0.46) JAK2JAK3PTK2GSK3BCDK2
SCHEMBL14194734 0.83 GSK3B (0.57) GSK3BCDK2CCNE1
SCHEMBL6891061 0.81 GSK3B (0.46) GSK3BCYP1A2CDK2CCNE1CYP3A4
SCHEMBL1918027 0.78 GSK3B (0.66) GSK3BCDK2CCNE1
Hydrochloric Acid SCHEMBL6895081 0.78 GSK3B (0.64) GSK3BCDK2CCNE1
SCHEMBL14194730 0.77 GSK3B (0.48) GSK3BCDK2
SCHEMBL6890102 0.76 CSNK2A1 (0.52) GSK3BCYP1A2CDK2CYP3A4
SCHEMBL6892622 0.76 GSK3B (0.47) GSK3BCYP1A2CDK2CCNE1CYP2D6
SCHEMBL13118254 0.76 GSK3B (0.70) GSK3BCDK2CCNE1
SCHEMBL6886976 0.75 KDM4E (0.48) GSK3BCDK2CCNE1

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 JAK2 1143/4885JAK3 469/4885PTK2 236/4885
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 JAK2 3986/4885JAK3 3991/4885PTK2 2031/4885

“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.