Sugi Predict

Sugi Predict / Compounds / SCHEMBL1370078

SCHEMBL1370078

SCHEMBL1370078

CC(C)(C)OC(=O)N1CCCC(CNC(=O)c2cn(COCC[Si](C)(C)C)c3ncc(C4CC4)nc23)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 1/20 0.42
▸ MEN1 O00255 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ IRAK1 P51617 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ MERTK Q12866 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ METTL3 Q86U44 1/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ HTR6 P50406 3/20 0.37
▸ BCHE P06276 2/20 0.37
▸ SCN9A Q15858 1/20 0.37
▸ KAT7 O95251 1/20 0.36
▸ KAT6A Q92794 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ PKM P14618 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
SCHEMBL1369607 0.96 MEN1 (0.41) ACKR3MEN1KMT2APIK3CDKDM4E
SCHEMBL1370574 0.90 DGAT1 (0.36) MEN1KMT2AKDM4EALDH1A1
SCHEMBL1352864 0.89 HDAC4 (0.45) MEN1KMT2APIK3CDKDM4EALDH1A1
SCHEMBL1370431 0.85 DGAT1 (0.39) MERTK
SCHEMBL1368820 0.85 DGAT1 (0.35) —
Hydrochloric Acid SCHEMBL1371455 0.81 PBK (0.42) —
SCHEMBL1353716 0.80 NAMPT (0.34) MEN1KMT2ACYP2C9KDM4EALDH1A1
SCHEMBL29936497 0.80 PIK3CD (0.40) MERTKPIK3CD
SCHEMBL18209959 0.80 PIK3CD (0.40) MERTKPIK3CD
Tert-Butyl Formate SCHEMBL28805261 0.80 PBK (0.40) —

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 ACKR3 1011/4885MEN1 3977/4885KMT2A 1286/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 ACKR3 1011/4885MEN1 3977/4885KMT2A 1286/4885

“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.