SCHEMBL2378461

SCHEMBL2378461

CC1COCCC1NC(=O)Nc1cnc2c(ccn2COCC[Si](C)(C)C)n1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.34
GABRA1 P14867 1/20 0.33
DGAT1 O75907 3/20 0.33
MTOR P42345 2/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
JAK2 O60674 7/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
JAK3 P52333 6/20 0.31
JAK1 P23458 4/20 0.31
MAPK1 P28482 2/20 0.30
PIK3CA P42336 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 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
SCHEMBL2375791 0.89 TAS1R3 (0.41) DGAT1BRD4CREBBPJAK2JAK3
SCHEMBL2375797 0.89 TAS1R3 (0.41) DGAT1BRD4CREBBPJAK2JAK3
SCHEMBL2375794 0.89 TAS1R3 (0.41) DGAT1BRD4CREBBPJAK2JAK3
SCHEMBL2378417 0.88 TAS1R3 (0.40) DGAT1BRD4CREBBPJAK2JAK3
Hydrochloric Acid SCHEMBL2377393 0.86 JAK2 (0.33) DGAT1BRD4CREBBPJAK2JAK3
SCHEMBL2376508 0.85 JAK2 (0.43) DGAT1BRD4CREBBPJAK2JAK3
SCHEMBL2379137 0.85 JAK2 (0.36) DGAT1MTORBRD4CREBBPJAK2
SCHEMBL2378605 0.85 JAK2 (0.41) DGAT1BRD4CREBBPJAK2JAK3
SCHEMBL2377020 0.84 JAK2 (0.43) JAK2JAK3JAK1
SCHEMBL2378774 0.84 JAK2 (0.45) DGAT1BRD4CREBBPJAK2GSK3B

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 CYP11B2 3469/4885GABRA1 3404/4885DGAT1 4356/4885

“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.