SCHEMBL14737631

SCHEMBL14737631

C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3cnc4ccccn34)cnc21

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.37
MAPK10 P53779 2/20 0.37
JUN P05412 1/20 0.37
CDK2 P24941 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
DYRK1A Q13627 1/20 0.36
IRAK4 Q9NWZ3 5/20 0.35
PKM P14618 4/20 0.35
MIF P14174 1/20 0.33
ADORA2A P29274 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL14737960 0.85 PRMT5 (0.35) DGAT1PKM
SCHEMBL1370890 0.82 DGAT1 (0.39) DGAT1PKM
SCHEMBL14751223 0.81 JAK2 (0.42) DGAT1MAPK10JUNCDK2MAPK8
SCHEMBL27978857 0.81 MAPT (0.40) DGAT1
SCHEMBL14655556 0.80 DGAT1 (0.39) DGAT1
SCHEMBL14746495 0.79 JAK2 (0.53) MAPK10JUNCDK2MAPK8MAPK9
SCHEMBL14737485 0.79 DGAT1 (0.37) DGAT1
SCHEMBL14655938 0.78 DGAT1 (0.36) DGAT1
SCHEMBL1351068 0.78 DGAT1 (0.40) DGAT1
SCHEMBL12145882 0.77 KLKB1 (0.40) DGAT1PKM

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 3 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
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US 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 4426/4885MAPK10 597/4885JUN 1517/4885

“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.