SCHEMBL14737485

SCHEMBL14737485

C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3nccc4ccccc34)cnc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.37
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
HPGDS O60760 1/20 0.33
EGFR P00533 1/20 0.33
IGF1R P08069 1/20 0.33
SRC P12931 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
EPHB4 P54760 1/20 0.33
TEK Q02763 1/20 0.33
KLKB1 P03952 1/20 0.33
MCL1 Q07820 1/20 0.32
BAD Q92934 1/20 0.32
HTR2C P28335 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL14752058 0.84 MAP2K4 (0.38) DGAT1NPC1KDM4EALDH1A1CYP1A2
SCHEMBL14737251 0.84 DGAT1 (0.38) DGAT1NPC1MAPTEGFRIGF1R
SCHEMBL1370890 0.84 DGAT1 (0.39) DGAT1NPC1MAPTKLKB1KDM4E
SCHEMBL27978857 0.82 MAPT (0.40) DGAT1NPC1MAPTKDM4EALDH1A1
SCHEMBL14751230 0.81 JAK2 (0.39) DGAT1HPGDS
SCHEMBL14752224 0.79 JAK2 (0.49)
SCHEMBL14737061 0.79 DGAT1 (0.35) DGAT1NPC1MAPTKLKB1
SCHEMBL14737631 0.79 DGAT1 (0.37) DGAT1
SCHEMBL14655373 0.79 DGAT1 (0.36) DGAT1NPC1MAPTKLKB1
SCHEMBL14655556 0.79 DGAT1 (0.39) DGAT1MAPTKLKB1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 DGAT1 4426/4885CNR2 3309/4885CNR1 3290/4885

“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.