SCHEMBL1918665

SCHEMBL1918665

CC(C)[C@H](CO)Nc1nc(NCc2cccc(F)c2)n2ncc(Br)c2n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 12/20 0.56
CDK5 Q00535 3/20 0.56
CDK5R1 Q15078 3/20 0.56
CDK9 P50750 9/20 0.48
CCNE1 P24864 2/20 0.48
CCNT1 O60563 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK7 P50613 1/20 0.48
CCNH P51946 1/20 0.48
CDK1 P06493 3/20 0.47
CCNB2 O95067 2/20 0.47
CCNB1 P14635 2/20 0.47
CCNB3 Q8WWL7 2/20 0.47
GSK3B P49841 4/20 0.41
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 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
SCHEMBL1918958 0.85 CDK2 (0.58) CDK2CDK5CDK5R1CDK9CCNE1
SCHEMBL1918663 0.78 CDK2 (0.38) CDK2CDK5CDK5R1CCNE1CCNA2
SCHEMBL1918669 0.78 GSK3B (0.41) CDK2CDK5CDK5R1CDK9CCNE1
SCHEMBL6889153 0.77 SRC (0.49) CDK2GSK3BTP53GAAMAPT
SCHEMBL6893510 0.76 CDK1 (0.59) CDK2CDK5CDK5R1CCNE1CCNA2
SCHEMBL6893513 0.76 CDK1 (0.59) CDK2CDK5CDK5R1CCNE1CCNA2
SCHEMBL14223915 0.71 CDK2 (0.54) CDK2CDK5CDK5R1CDK9CCNE1
SCHEMBL14223713 0.71 CDK2 (0.54) CDK2CDK5CDK5R1CDK9CCNE1
SCHEMBL14194689 0.71 CDK2 (0.54) CDK2CDK5CDK5R1CDK9CCNE1
SCHEMBL14194691 0.71 CDK2 (0.54) CDK2CDK5CDK5R1CDK9CCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004533456-A 2004-11-04 JP 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 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 claimed
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
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 claimed
EP-2335702-A1 Product containing at least one phosphatase Cdc25 inhibitor combined with at least one other anticancer agent IPSEN PHARMA (FR) 2011-06-22 EP disclosed
US-20090253685-A1 Product comprising at least one Cdc25 phosphatase inhibitor in combination with at least one other anti-cancer agent SOCIETE DE CONSEILS DE RECHERCHES ET D' APPLICATIONS SCIENTIFICQUES 2009-10-08 US disclosed
EP-1641453-B1 PRODUCT CONTAINING AT LEAST ONE PHOSPHATASE CDC25 INHIBITOR COMBINED WITH AT LEAST ONE OTHER ANTICANCER AGENT IPSEN PHARMA (FR) 2009-08-19 EP disclosed
US-20090137596-A1 G-PROTEIN INHIBITOR SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2009-05-28 US disclosed
EP-1792905-A1 Product containing at least one phosphatase CDC25 inhibitor combined with at least one other anticancer agent Société de Conseils de Recherches et d'Applications Scientifiques ( S.C.R.A.S.) (FR) 2007-06-06 EP disclosed
US-20060281736-A1 Product comprising at least one phosphatase cdc25 inhibitor combined with at least one other anticancer agent SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-12-14 US disclosed
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 (5 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 CDK2 12/4885CDK5 37/4885CDK5R1 51/4885
US-20090137596-A1 G-PROTEIN INHIBITOR CDC25A, CDC25C, CDC25B CDK2 19/4885CDK5 6/4885CDK5R1 15/4885
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 CDK2 567/4885CDK5 988/4885CDK5R1 951/4885
US-20060281736-A1 Product comprising at least one phosphatase cdc25 inhibitor combined with at least one other anticancer agent CDC25A, CDC25C, CDC25B CDK2 25/4885CDK5 13/4885CDK5R1 30/4885
US-20090253685-A1 Product comprising at least one Cdc25 phosphatase inhibitor in combination with at least one other anti-cancer agent CDC25A, CDC25C, CDC25B CDK2 23/4885CDK5 11/4885CDK5R1 25/4885

“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.