SCHEMBL641827

SCHEMBL641827

COc1ccc(CN(C(=O)OC(C)(C)C)c2ccc(C(O)c3c[nH]c4nccnc34)cn2)cn1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.30
TAS2R14 Q9NYV8 1/20 0.30

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
SCHEMBL2114924 0.87 NTRK1 (0.32) ACACB
SCHEMBL3821880 0.85 CYP2C9 (0.42)
SCHEMBL1884897 0.85 BRD4 (0.33) TAS2R14
SCHEMBL14194690 0.81
SCHEMBL12096416 0.78 CYP2C9 (0.32)
SCHEMBL14608968 0.78 CETP (0.32)
SCHEMBL858112 0.77 LMNA (0.39)
SCHEMBL4280311 0.76 S1PR3 (0.36)
SCHEMBL641895 0.73 TAS2R14 (0.37) ACACBTAS2R14
SCHEMBL858686 0.72 BRD4 (0.34)

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-8119637-B2 Substituted pyrrolo[2,3-b]pyrazines and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-02-21 US disclosed
US-8119637-B2 Substituted pyrrolo[2,3-b]pyrazines and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-02-21 US disclosed
US-8119637-B2 Substituted pyrrolo[2,3-b]pyrazines and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2012-02-21 US disclosed
WO-2009152083-A1 5H-PYRR0L0 [2,3-B] PYRAZINE DERIVATIVES FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-12-17 WO disclosed
WO-2009152083-A1 5H-PYRR0L0 [2,3-B] PYRAZINE DERIVATIVES FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. (US) 2009-12-17 WO disclosed
US-20090306086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-12-10 US disclosed
US-20090306086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-12-10 US disclosed
US-20090306086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON, INC. 2009-12-10 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 (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-20090306086-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PRKACA, KIT, FLT3 ACACB 2828/4885TAS2R14 4519/4885

“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.