SCHEMBL1369607

SCHEMBL1369607

CC(C)(C)OC(=O)N1CCC(CNC(=O)c2cn(COCC[Si](C)(C)C)c3ncc(C4CC4)nc23)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
PIK3CD O00329 2/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
ACKR3 P25106 1/20 0.37
TP53 P04637 2/20 0.37
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
PDE10A Q9Y233 1/20 0.36
DGAT1 O75907 1/20 0.36
IL1B P01584 1/20 0.36
P2RX7 Q99572 1/20 0.36
LMNA P02545 2/20 0.36
NAMPT P43490 1/20 0.35

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
SCHEMBL1370078 0.96 ACKR3 (0.42) MEN1KMT2APIK3CDKDM4EPKM
SCHEMBL1352864 0.86 HDAC4 (0.45) MEN1KMT2APIK3CDKDM4EALDH1A1
SCHEMBL1370574 0.86 DGAT1 (0.36) MEN1KMT2AKDM4EALDH1A1DGAT1
SCHEMBL1370431 0.83 DGAT1 (0.39) PDE10ADGAT1P2RX7
SCHEMBL29936289 0.82 JAK3 (0.42) MEN1KMT2APIK3CDKDM4EPKM
SCHEMBL18210055 0.82 JAK3 (0.42) MEN1KMT2APIK3CDKDM4EPKM
SCHEMBL18210330 0.82 JAK3 (0.42) MEN1KMT2APIK3CDKDM4EPKM
SCHEMBL29936435 0.82 JAK3 (0.42) MEN1KMT2APIK3CDKDM4EPKM
SCHEMBL1368820 0.81 DGAT1 (0.35) DGAT1NAMPT
SCHEMBL1353716 0.81 NAMPT (0.34) MEN1KMT2AKDM4EALDH1A1HPGD

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 7 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
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US 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
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 US 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 MEN1 3977/4885KMT2A 1286/4885PIK3CD 121/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 MEN1 3977/4885KMT2A 1286/4885PIK3CD 121/4885

“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.