SCHEMBL1918669

SCHEMBL1918669

CC(C)N(CCO)c1nc(NCc2cccc(F)c2)n2ncc(Br)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.41
GAA P10253 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
CDK2 P24941 7/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
CDK9 P50750 2/20 0.37
CCNE1 P24864 2/20 0.36
CDK5 Q00535 2/20 0.36
CDK5R1 Q15078 2/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK7 P50613 1/20 0.36

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
SCHEMBL1918959 0.85 GSK3B (0.55) GSK3BCDK2CCNE1
SCHEMBL1918665 0.78 CDK2 (0.56) GSK3BGAATP53MAPTCDK2
SCHEMBL6893517 0.76 CDK5 (0.47) GSK3BGAATP53MAPTCDK2
SCHEMBL6889153 0.76 SRC (0.49) GSK3BGAATP53MAPTCDK2
SCHEMBL23508512 0.65 PKM (0.38) GAAMAPTKDM4EALDH1A1
SCHEMBL6895325 0.63 SRC (0.47) GSK3BGAACDK2KDM4EALDH1A1
SCHEMBL12953416 0.63 GSK3B (0.60) GSK3BCDK2CCNE1
SCHEMBL1918958 0.62 CDK2 (0.58) GSK3BCDK2CDK9CCNE1CDK5
SCHEMBL23497503 0.61 SCD (0.35) GSK3BGAATP53MAPTCDK2
SCHEMBL1918663 0.61 CDK2 (0.38) TP53MAPTCDK2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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

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 GSK3B 25/4885GAA 4261/4885TP53 1603/4885
US-20090137596-A1 G-PROTEIN INHIBITOR CDC25A, CDC25C, CDC25B GSK3B 1201/4885GAA 2886/4885TP53 624/4885
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 2441/4885GAA 583/4885TP53 171/4885
US-20060281736-A1 Product comprising at least one phosphatase cdc25 inhibitor combined with at least one other anticancer agent CDC25A, CDC25C, CDC25B GSK3B 801/4885GAA 3181/4885TP53 332/4885
US-20090253685-A1 Product comprising at least one Cdc25 phosphatase inhibitor in combination with at least one other anti-cancer agent CDC25A, CDC25C, CDC25B GSK3B 730/4885GAA 3410/4885TP53 385/4885

“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.