SCHEMBL14795236

SCHEMBL14795236

CCNC(=O)c1ccc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ESR1 P03372 1/20 0.32
POLB P06746 1/20 0.32
JMJD7 P0C870 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
STAT3 P40763 1/20 0.32
STAT1 P42224 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KLKB1 P03952 1/20 0.32
AKT3 Q9Y243 3/20 0.32
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
PDE10A Q9Y233 1/20 0.31
PTPN1 P18031 1/20 0.31

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
SCHEMBL14795124 0.90 ESRRG (0.42) DGAT1AKT3HDAC4HDAC1HDAC6
SCHEMBL1371408 0.87 DGAT1 (0.33) DGAT1MAPTHPGD
SCHEMBL14796992 0.87 DGAT1 (0.34) DGAT1MAPTHPGDPTPN1
SCHEMBL14795127 0.86 DYRK1A (0.37) DGAT1MAPTKDM4ENPC1ESR1
SCHEMBL14795118 0.84 DGAT1 (0.34) DGAT1MAPTKLKB1PDE10APTPN1
SCHEMBL14795133 0.84 MAPT (0.35) DGAT1MAPTNPC1ESR1RAB9A
SCHEMBL1370838 0.82 DGAT1 (0.34) DGAT1MAPTKDM4EGAAHPGD
SCHEMBL14655487 0.82 DGAT1 (0.38) DGAT1MAPTKLKB1PDE10APTPN1
SCHEMBL1370835 0.82 DGAT1 (0.35) DGAT1MAPTHPGDAKT3PDE10A
SCHEMBL14795136 0.81 DGAT1 (0.32) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP 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-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 DGAT1 4772/4885MAPT 3873/4885KDM4E 749/4885

“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.