SCHEMBL14738170

SCHEMBL14738170

C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(I)cnc21

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.37
KLKB1 P03952 1/20 0.36
MAPT P10636 1/20 0.32
ALKBH1 Q13686 1/20 0.31
NPC1 O15118 1/20 0.30
PTPN1 P18031 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
SCHEMBL14738023 0.89 DGAT1 (0.42) DGAT1KLKB1MAPTALKBH1NPC1
SCHEMBL12145882 0.87 KLKB1 (0.40) DGAT1KLKB1MAPTPTPN1
SCHEMBL1352880 0.86 DGAT1 (0.42) DGAT1KLKB1MAPTNPC1PTPN1
SCHEMBL29936480 0.86 DGAT1 (0.42) DGAT1KLKB1MAPTNPC1PTPN1
SCHEMBL12301307 0.86 KLKB1 (0.36) DGAT1KLKB1MAPTNPC1PTPN1
SCHEMBL14795161 0.84 DGAT1 (0.47) DGAT1KLKB1MAPTPTPN1
SCHEMBL14795206 0.84 KLKB1 (0.36) DGAT1KLKB1MAPT
SCHEMBL14795117 0.84 DGAT1 (0.36) DGAT1KLKB1MAPTPTPN1
SCHEMBL14655489 0.84 DGAT1 (0.35) DGAT1KLKB1MAPT
SCHEMBL1351068 0.83 DGAT1 (0.40) DGAT1KLKB1MAPTALKBH1NPC1

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 4426/4885KLKB1 1881/4885MAPT 3736/4885

“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.