SCHEMBL1352898

SCHEMBL1352898

C[Si](C)(C)CCOCn1cc(C(=O)NC2CCN(S(C)(=O)=O)C2)c2nc(C3CC3)cnc21

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.36
DGAT1 O75907 3/20 0.36
IRAK4 Q9NWZ3 3/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGDS O60760 1/20 0.34
MAPK1 P28482 3/20 0.34
CYP11B2 P19099 1/20 0.34
AXL P30530 4/20 0.33
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL1352857 0.95 IRAK4 (0.40) DGAT1IRAK4MAPK1
SCHEMBL1353415 0.87 DGAT1 (0.34) DGAT1
SCHEMBL1368820 0.85 DGAT1 (0.35) DGAT1AXL
SCHEMBL1352450 0.85 DGAT1 (0.39) DGAT1ALDH1A1MAPK1
SCHEMBL27889101 0.84 DGAT1 (0.36) DGAT1MAPK1
SCHEMBL1352864 0.81 HDAC4 (0.45) ALDH1A1
SCHEMBL1371116 0.81 JAK2 (0.50) DGAT1
Hydrochloric Acid SCHEMBL1352610 0.80 PBK (0.39) DGAT1MAPK1
SCHEMBL1352358 0.79 DGAT1 (0.43) DGAT1ALDH1A1
SCHEMBL1371149 0.79 DGAT1 (0.38) DGAT1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288097-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 US disclosed
WO-2011144584-A1 PYRROLOPYRAZINE DERIVATIVES AS SYK AND JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO 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-20110288097-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 SMYD3 3197/4885DGAT1 4732/4885IRAK4 13/4885

“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.