SCHEMBL1887404

SCHEMBL1887404

COC1CCN(c2cccc(B3OC(C)(C)C(C)(C)O3)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.41
BACE1 P56817 2/20 0.39
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
IDH1 O75874 2/20 0.36
ACACB O00763 5/20 0.35
NTSR1 P30989 3/20 0.35
ADORA2A P29274 1/20 0.34
NOTUM Q6P988 1/20 0.34

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
SCHEMBL12372229 0.86 USP30 (0.40) USP30IDH1ACACBNTSR1ADORA2A
SCHEMBL24681267 0.85 USP30 (0.40) USP30BACE1LPLLIPG
SCHEMBL24681269 0.85 USP30 (0.40) USP30BACE1LPLLIPG
SCHEMBL24681266 0.85 USP30 (0.40) USP30BACE1LPLLIPG
SCHEMBL368100 0.84 LPL (0.33) USP30BACE1LPLLIPGACACB
SCHEMBL16238337 0.84 LPL (0.39) BACE1LPLLIPGIDH1NOTUM
SCHEMBL16238335 0.84 LPL (0.39) BACE1LPLLIPGIDH1NOTUM
SCHEMBL20911352 0.82 AR (0.40) LPLLIPGNOTUM
SCHEMBL30447812 0.82 AR (0.40) LPLLIPGNOTUM
SCHEMBL27312501 0.81 LPL (0.41) LPLLIPG

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-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
EP-2247592-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
WO-2009106442-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 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-20090215750-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 USP30 1057/4885BACE1 3994/4885LPL 4704/4885

“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.