SCHEMBL2379558

SCHEMBL2379558

COC(=O)N1CCCC(NC(=O)Nc2cnc3c(ccn3COCC[Si](C)(C)C)n2)C(C)C1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 11/20 0.38
JAK3 P52333 10/20 0.38
JAK1 P23458 7/20 0.34
TAS1R3 Q7RTX0 4/20 0.33
TAS1R1 Q7RTX1 4/20 0.33
MAPK1 P28482 1/20 0.32
DGAT1 O75907 2/20 0.31
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
MTOR P42345 1/20 0.30
BRD4 O60885 1/20 0.30
CREBBP Q92793 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
SCHEMBL2377700 0.95 JAK2 (0.35) JAK2JAK3JAK1DGAT1PIK3CA
SCHEMBL2376281 0.93 JAK2 (0.45) JAK2JAK3JAK1TAS1R3TAS1R1
SCHEMBL2379137 0.90 JAK2 (0.36) JAK2JAK3TAS1R3TAS1R1DGAT1
SCHEMBL2377450 0.90 JAK2 (0.48) JAK2JAK3JAK1MAPK1PIK3CA
SCHEMBL2378605 0.89 JAK2 (0.41) JAK2JAK3JAK1DGAT1BRD4
SCHEMBL2375797 0.88 TAS1R3 (0.41) JAK2JAK3JAK1TAS1R3TAS1R1
SCHEMBL2375794 0.88 TAS1R3 (0.41) JAK2JAK3JAK1TAS1R3TAS1R1
SCHEMBL2375791 0.88 TAS1R3 (0.41) JAK2JAK3JAK1TAS1R3TAS1R1
SCHEMBL2377199 0.88 JAK2 (0.46) JAK2JAK3JAK1
Ethylenediamine SCHEMBL2377655 0.88 JAK2 (0.46) JAK2JAK3JAK1MAPK1

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.