SCHEMBL1370890

SCHEMBL1370890

C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3ccccn3)cnc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.39
KLKB1 P03952 1/20 0.35
DHODH Q02127 1/20 0.34
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
FAAH O00519 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
SCHEMBL1373088 0.90 DGAT1 (0.38) DGAT1MAPTKMT2AKDM4EHPGD
SCHEMBL1635721 0.90 DGAT1 (0.37) DGAT1MAPTNPC1KDM4EHPGD
SCHEMBL27978857 0.86 MAPT (0.40) DGAT1DHODHMAPTNPC1TP53
SCHEMBL14655373 0.84 DGAT1 (0.36) DGAT1KLKB1MAPTNPC1
SCHEMBL14655556 0.84 DGAT1 (0.39) DGAT1KLKB1MAPTKMT2AKDM4E
SCHEMBL14737485 0.84 DGAT1 (0.37) DGAT1KLKB1MAPTNPC1RAB9A
SCHEMBL14655938 0.83 DGAT1 (0.36) DGAT1KLKB1MAPTNPC1
SCHEMBL14737631 0.82 DGAT1 (0.37) DGAT1PKM
SCHEMBL14795223 0.82 CYP3A4 (0.37) DGAT1KLKB1MAPTHPGD
SCHEMBL1351068 0.81 DGAT1 (0.40) DGAT1KLKB1MAPTNPC1KMT2A

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 4 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
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 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 (2 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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 DGAT1 4772/4885KLKB1 2297/4885DHODH 2819/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 DGAT1 4772/4885KLKB1 2297/4885DHODH 2819/4885

“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.