SCHEMBL1053906

SCHEMBL1053906

CCOc1c(OCc2ccc(N3CCOCC3)nc2)cccc1C(=O)c1c[nH]c2ncccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.42
PARP1 P09874 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
PRKDC P78527 2/20 0.40
DGAT1 O75907 2/20 0.39
AKT1 P31749 1/20 0.39
TP53 P04637 1/20 0.39
ADORA2A P29274 1/20 0.39
CYP1A2 P05177 1/20 0.39
JAK1 P23458 1/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37
AOC3 Q16853 1/20 0.37
MAP2K1 Q02750 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDR P35968 1/20 0.37
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37

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
SCHEMBL1050870 0.93 MAP2K1 (0.39) SYKTP53AOC3MAP2K1KDM4E
SCHEMBL1054348 0.81 CNR1 (0.45) MAP2K1KDM4E
SCHEMBL1054118 0.81 MAP2K1 (0.41) SYKADORA2AMAP2K1KDR
SCHEMBL1055056 0.81 MAP2K1 (0.41) ADORA2ACLK1DYRK1AAOC3MAP2K1
SCHEMBL411813 0.81 BRAF (0.43) SYKPARP1RAB9ANPC1PRKDC
SCHEMBL416151 0.80 L3MBTL1 (0.46) RAB9ANPC1MAP2K1KDM4ESMN1; SMN2
SCHEMBL1049617 0.76 MAP2K1 (0.39) RAB9ANPC1TP53MAP2K1KDM4E
SCHEMBL1049695 0.76 DRD2 (0.45) CYP1A2MAP2K1KDM4ESMN1; SMN2
SCHEMBL1051913 0.74 MAP2K1 (0.44) MAP2K1KDR
SCHEMBL1054297 0.74 SGMS2 (0.46) NPC1TP53CYP1A2MAP2K1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094701-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-09-02 EP claimed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US claimed
WO-2008080001-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO claimed
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO claimed
US-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 US disclosed
US-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 US disclosed
US-7872018-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON, INC. (US) 2011-01-18 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US disclosed
WO-2008080001-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 WO disclosed
WO-2008080015-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2008-07-03 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 (1 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-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 SYK 520/4885PARP1 1237/4885RAB9A 1597/4885

“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.