SCHEMBL2377069

SCHEMBL2377069

COC(=O)[C@H]1CC[C@H](NC(=O)Nc2cnc3c(ccn3COCC[Si](C)(C)C)n2)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.38
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
JAK2 O60674 12/20 0.36
JAK3 P52333 11/20 0.35
JAK1 P23458 8/20 0.35
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
FASN P49327 1/20 0.32
WNT1 P04628 1/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 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
SCHEMBL2376929 0.92 JAK2 (0.36) DGAT1JAK2JAK3JAK1CTSD
SCHEMBL2377792 0.91 PDGFRB (0.37) DGAT1PDGFRBPDGFRAJAK2JAK3
SCHEMBL2377456 0.90 DGAT1 (0.37) DGAT1JAK2JAK3JAK1FASN
SCHEMBL2502754 0.89 JAK2 (0.36) DGAT1JAK2JAK3JAK1CTSD
SCHEMBL2502761 0.89 JAK2 (0.36) DGAT1JAK2JAK3JAK1CTSD
SCHEMBL2378550 0.89 JAK2 (0.36) DGAT1JAK2JAK3JAK1CTSD
SCHEMBL2377659 0.87 JAK2 (0.48) JAK2JAK3JAK1CTSDBACE1
SCHEMBL2379412 0.87 JAK2 (0.41) DGAT1PDGFRBPDGFRAJAK2JAK3
SCHEMBL2378557 0.85 CTSD (0.39) DGAT1JAK2JAK3JAK1CTSD
SCHEMBL2377198 0.85 JAK2 (0.37) DGAT1JAK2JAK3JAK1CTSD

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-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
US-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors ROCHE PALO ALTO LLC 2010-06-10 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-20100144745-A1 Pyrrolopyrazinyl Urea Kinase Inhibitors JAK1, JAK3, ULK3 DGAT1 4356/4885PDGFRB 2177/4885PDGFRA 2464/4885

“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.