SCHEMBL3485827

SCHEMBL3485827

COC(=O)C(C)(C)c1ccc(C(=O)Nc2cn3c(C)cccc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 13/20 0.55
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CLK2 P49760 3/20 0.41
HRH1 P35367 2/20 0.41
PDGFRB P09619 1/20 0.41
KIT P10721 1/20 0.41
PDGFRA P16234 1/20 0.41
FLT3 P36888 1/20 0.41
CLK1 P49759 1/20 0.41
CLK3 P49761 1/20 0.41
DYRK1A Q13627 1/20 0.41
SIK2 Q9H0K1 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
DYRK1B Q9Y463 1/20 0.41

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
SCHEMBL3485464 0.89 MAP3K5 (0.57) MAP3K5GAAKDM4ELMNAMAPT
SCHEMBL3485303 0.87 MAP3K5 (0.67) MAP3K5GAAKDM4ELMNAMAPT
Hydrochloric Acid SCHEMBL3486394 0.86 MAP3K5 (0.66) MAP3K5GAAKDM4ELMNAMAPT
SCHEMBL3486573 0.80 MAP3K5 (0.50) MAP3K5GAAKDM4ELMNAMAPT
SCHEMBL3486023 0.80 MAP3K5 (0.76) MAP3K5CLK2HRH1PDGFRBKIT
SCHEMBL3485656 0.79 MAP3K5 (0.47) MAP3K5GAAKDM4ELMNAMAPT
SCHEMBL3486308 0.77 MAP3K5 (0.49) MAP3K5CLK2HRH1PDGFRBKIT
SCHEMBL3485399 0.76 KDM4E (0.45) MAP3K5GAAKDM4ELMNAMAPT
SCHEMBL3485623 0.76 MAP3K5 (0.77) MAP3K5CLK2HRH1PDGFRBKIT
SCHEMBL3485831 0.76 MAP3K5 (0.60) MAP3K5CLK2HRH1PDGFRBKIT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100028952-A1 FERMENTATION AND PURIFICATION OF ACTINOMADURA CHROMOPROTEIN AND RELATED SPECIES WYETH (US) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 EP disclosed
EP-2029175-A2 FERMENTATION AND PURIFICATION OF ACTINOMADURA CHROMOPROTEIN AND RELATED SPECIES Wyeth (US) 2009-03-04 EP disclosed
US-20080274959-A1 Actinomadura Chromoprotein, Apoprotein and Gene Cluster WYETH (US) 2008-11-06 US disclosed
WO-2007149560-A2 FERMENTATION AND PURIFICATION OF ACTINOMADURA CHROMOPROTEIN AND RELATED SPECIES WYETH (US) 2007-12-27 WO disclosed
EP-1836219-A2 ACTINOMADURA CHROMOPROTEIN, APOPROTEIN, AND GENE CLUSTER Wyeth (US) 2007-09-26 EP disclosed
WO-2006066153-A2 ACTINOMADURA CHROMOPROTEIN, APOPROTEIN, AND GENE CLUSTER WYETH (US) 2006-06-22 WO disclosed
EP-1381672-A4 BIOSYNTHESIS OF POLYKETIDE SYNTHASE SUBSTRATES TRUSTEES OF BOARD OF (US) 2006-01-25 EP disclosed
EP-1381672-A1 BIOSYNTHESIS OF POLYKETIDE SYNTHASE SUBSTRATES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2004-01-21 EP disclosed
US-20020192767-A1 Biosynthesis of polyketide synthase substrates NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-12-19 US disclosed
WO-2002068613-A1 BIOSYNTHESIS OF POLYKETIDE SYNTHASE SUBSTRATES THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2002-09-06 WO disclosed
US-20020045220-A1 Biosynthesis of polyketide synthase substrates LELAND STANFORD JUNIOR UNIVERSITY, THE 2002-04-18 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 (4 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-20080274959-A1 Actinomadura Chromoprotein, Apoprotein and Gene Cluster ACTR2, APOB, CACYBP MAP3K5 3025/4885GAA 2227/4885KDM4E 4682/4885
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 MAP3K5 42/4885GAA 4092/4885KDM4E 898/4885
US-20020045220-A1 Biosynthesis of polyketide synthase substrates COASY, DCXR, KYAT3 MAP3K5 2956/4885GAA 295/4885KDM4E 1485/4885
US-20100028952-A1 FERMENTATION AND PURIFICATION OF ACTINOMADURA CHROMOPROTEIN AND RELATED SPECIES DCXR, ACTR2, AMY2A MAP3K5 2799/4885GAA 82/4885KDM4E 3138/4885

“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.