SCHEMBL1053294

SCHEMBL1053294

CCOc1c(OC(C)c2ccncc2)cccc1C(=O)c1c[nH]c2ncccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.44
KDR P35968 2/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
CNR2 P34972 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NEK2 P51955 2/20 0.36
CCNE1 P24864 2/20 0.36
CDK2 P24941 2/20 0.36
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
BRAF P15056 2/20 0.35
ADORA2A P29274 1/20 0.35
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
MTNR1A P48039 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34

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
SCHEMBL1050368 1.00 MAP2K1 (0.44) MAP2K1KDRALDH1A1GAACNR2
SCHEMBL1054367 0.85 MAP2K1 (0.43) MAP2K1KDRCNR2NEK2CCNE1
SCHEMBL1054382 0.83 MAP2K1 (0.41) MAP2K1KDRALDH1A1NEK2MEN1
SCHEMBL1052482 0.83 MAP2K1 (0.41) MAP2K1KDRCNR2NEK2MEN1
SCHEMBL416151 0.77 L3MBTL1 (0.46) MAP2K1KDRALDH1A1GAAMEN1
SCHEMBL1049695 0.76 DRD2 (0.45) MAP2K1ALDH1A1GAACNR2MEN1
SCHEMBL1054297 0.76 SGMS2 (0.46) MAP2K1KDRALDH1A1GAACCNE1
SCHEMBL1051913 0.76 MAP2K1 (0.44) MAP2K1KDRCNR2NEK2MEN1
SCHEMBL1055098 0.75 MAP2K1 (0.43) MAP2K1KDRALDH1A1NEK2CDK2
SCHEMBL1051458 0.75 MAP2K1 (0.43) MAP2K1KDRNEK2CDK2BRAF

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
US-20080221148-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-09-11 US 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
EP-2094701-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-09-02 EP 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-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 MAP2K1 153/4885KDR 1084/4885ALDH1A1 4348/4885

“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.