SCHEMBL6885247

SCHEMBL6885247

CSc1nc(Nc2cccc(Cl)c2)n2ncc(Br)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.48
HCK P08631 2/20 0.48
PIM1 P11309 2/20 0.48
ABL1 P00519 4/20 0.46
FYN P06241 2/20 0.43
FLT3 P36888 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
CSNK2A1 P68400 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL14427508 0.75 GSK3B (0.50) MEN1KMT2ACSNK2A1KDM4ECYP1A2
SCHEMBL6893510 0.74 CDK1 (0.59) SRCMEN1KMT2ACSNK2A1KDM4E
SCHEMBL6893513 0.74 CDK1 (0.59) SRCMEN1KMT2ACSNK2A1KDM4E
SCHEMBL6893517 0.74 CDK5 (0.47) SRCMEN1KMT2ACSNK2A1KDM4E
SCHEMBL6886307 0.72 CLK2 (0.57) HCKPIM1FLT3MEN1KMT2A
SCHEMBL6892897 0.72 GSK3B (0.37) SRCHCKPIM1ABL1
SCHEMBL18122673 0.71 CSNK2A1 (0.46) SRCHCKPIM1ABL1FYN
SCHEMBL23508064 0.70 GSK3B (0.36) SRCABL1FYN
SCHEMBL6889153 0.70 SRC (0.49) SRCABL1FYNFLT3KDM4E
SCHEMBL20549701 0.70 CSNK2A1 (0.54) SRCABL1CSNK2A1

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 1384/4885HCK 1030/4885PIM1 1647/4885
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 2095/4885HCK 338/4885PIM1 144/4885

“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.