SCHEMBL2379412

SCHEMBL2379412

CC1CCCC(NC(=O)Nc2cnc3c(ccn3COCC[Si](C)(C)C)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 12/20 0.41
JAK3 P52333 11/20 0.41
JAK1 P23458 8/20 0.41
CTSD P07339 1/20 0.37
BACE1 P56817 1/20 0.37
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
DGAT1 O75907 2/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
GRIN2B Q13224 1/20 0.31

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
SCHEMBL2377659 0.91 JAK2 (0.48) JAK2JAK3JAK1CTSDBACE1
SCHEMBL2378562 0.89 CTSD (0.39) JAK2JAK3JAK1CTSDBACE1
SCHEMBL2378557 0.89 CTSD (0.39) JAK2JAK3JAK1CTSDBACE1
SCHEMBL2377198 0.89 JAK2 (0.37) JAK2JAK3JAK1CTSDBACE1
SCHEMBL2378566 0.89 CTSD (0.39) JAK2JAK3JAK1CTSDBACE1
SCHEMBL2378885 0.88 JAK2 (0.39) JAK2JAK3JAK1DGAT1BRD4
SCHEMBL2378998 0.88 JAK2 (0.39) JAK2JAK3JAK1DGAT1BRD4
Hydrochloric Acid SCHEMBL2379159 0.88 JAK2 (0.38) JAK2JAK3JAK1DGAT1BRD4
Hydrochloric Acid SCHEMBL2378588 0.88 JAK2 (0.38) JAK2JAK3JAK1DGAT1BRD4
SCHEMBL2377001 0.87 CTSD (0.39) JAK2JAK3JAK1CTSDBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373653-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
US-8012974-B2 Pyrrolopyrazinyl urea kinase inhibitors ROCHE PALO ALTO LLC (US) 2011-09-06 US disclosed
WO-2010063634-A1 PYRROLOPYRAZINYL UREA KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO 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 JAK2 5/4885JAK3 2/4885JAK1 1/4885

“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.