SCHEMBL1370843

SCHEMBL1370843

C[C@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ccc(C(=O)Nc4ccc(I)cc4Cl)s3)nc12)C(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.33
ORAI1 Q96D31 1/20 0.33
DGAT1 O75907 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
PRSS12 P56730 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
SCHEMBL14795133 0.89 MAPT (0.35) STIM1ORAI1DGAT1NPC1MAPT
SCHEMBL1370835 0.88 DGAT1 (0.35) DGAT1MAPT
SCHEMBL1371408 0.86 DGAT1 (0.33) DGAT1MAPT
SCHEMBL1370838 0.85 DGAT1 (0.34) DGAT1MAPT
SCHEMBL1369228 0.85 DGAT1 (0.35) DGAT1MAPT
SCHEMBL14796992 0.84 DGAT1 (0.34) DGAT1MAPT
SCHEMBL1369830 0.82 ESRRG (0.37) DGAT1MAPT
SCHEMBL1369229 0.81 DGAT1 (0.34) DGAT1MAPT
SCHEMBL1369660 0.81 DYRK1A (0.34) DGAT1NPC1MAPTRAB9A
SCHEMBL1368713 0.78 JAK2 (0.49)

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
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

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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 STIM1 1483/4885ORAI1 2205/4885DGAT1 4772/4885

“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.