SCHEMBL1054348

SCHEMBL1054348

CCOc1c(OCCCN2CCOCC2)cccc1C(=O)c1c[nH]c2ncccc12

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
EPHX2 P34913 2/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
USP2 O75604 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MAP2K1 Q02750 1/20 0.41
ABCB1 P08183 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
SCHEMBL1049695 0.88 DRD2 (0.45) CNR1CNR2CYP2D6TSHRKDM4E
SCHEMBL1053906 0.81 SYK (0.42) KDM4EMAP2K1
SCHEMBL8241093 0.79 CYP3A4 (0.48) CNR1CNR2EPHX2KDM4ECYP3A4
SCHEMBL412755 0.78 CYP3A4 (0.54) CNR1CNR2EPHX2KDM4ECYP3A4
SCHEMBL14147446 0.78 MAP2K1 (0.40) CNR2CYP2D6MAP2K1
SCHEMBL1051919 0.76 MAP2K1 (0.41) KDM4EMAP2K1
SCHEMBL1052478 0.76 MAP2K1 (0.41) KDM4EMAP2K1
SCHEMBL416151 0.76 L3MBTL1 (0.46) TSHRKDM4EMAP2K1
SCHEMBL1051913 0.75 MAP2K1 (0.44) CNR2MAP2K1
SCHEMBL1054297 0.75 SGMS2 (0.46) CYP2D6TSHRKDM4ECYP3A4MAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CNR1 3175/4885CNR2 2801/4885EPHX2 3878/4885

“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.