SCHEMBL6889153

SCHEMBL6889153

CSc1nc(NCc2cccc(F)c2)n2ncc(Br)c2n1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.49
ABL1 P00519 4/20 0.49
GSK3B P49841 9/20 0.48
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
CDK2 P24941 4/20 0.41
FYN P06241 1/20 0.39
FLT3 P36888 1/20 0.39

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
SCHEMBL6895325 0.87 SRC (0.47) SRCABL1GSK3BGAAKDM4E
SCHEMBL1918027 0.83 GSK3B (0.66) GSK3BCDK2
SCHEMBL23508062 0.82 GSK3B (0.36) SRCABL1GSK3BGAATP53
Hydrochloric Acid SCHEMBL6895081 0.82 GSK3B (0.64) GSK3BCDK2
SCHEMBL6889262 0.81 CDK2 (0.56) GSK3BCDK2
SCHEMBL15718901 0.78 SRC (0.46) SRCABL1GSK3BGAATP53
SCHEMBL23508057 0.78 GSK3B (0.36) SRCABL1GSK3BCDK2
Hydrochloric Acid SCHEMBL23497853 0.77 GSK3B (0.35) SRCABL1GSK3BCDK2
SCHEMBL1918665 0.77 CDK2 (0.56) GSK3BGAATP53MAPTCDK2
Hydrochloric Acid SCHEMBL23497851 0.77 GSK3B (0.36) SRCABL1GSK3BCDK2

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 SRC 1384/4885ABL1 1330/4885GSK3B 25/4885
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 SRC 2095/4885ABL1 1813/4885GSK3B 2441/4885

“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.