SCHEMBL2277427

SCHEMBL2277427

CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ccc(N4CCN(C(=O)CO)CC4)cc3)nc12

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.40
SYK P43405 2/20 0.36
MAP4K1 Q92918 1/20 0.34
RET P07949 2/20 0.33
ENPP2 Q13822 1/20 0.33
AKR1C3 P42330 1/20 0.33
CDK2 P24941 1/20 0.33
ALK Q9UM73 2/20 0.33
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL2275367 0.92 DGAT1 (0.35) DGAT1ALKNPSR1ALDH1A1
SCHEMBL2279791 0.89 DGAT1 (0.44) DGAT1SYKMAP4K1
SCHEMBL2276252 0.88 DGAT1 (0.39) DGAT1MAP4K1
SCHEMBL2279837 0.88 DGAT1 (0.39) DGAT1SYKMAP4K1ALDH1A1
SCHEMBL12372355 0.83 DGAT1 (0.42) DGAT1ALDH1A1
SCHEMBL2277832 0.82 ADORA2A (0.41) RET
SCHEMBL2272747 0.81 DGAT1 (0.38) DGAT1
SCHEMBL2280038 0.80 DGAT1 (0.33) DGAT1
SCHEMBL1635530 0.80 DGAT1 (0.34) DGAT1
SCHEMBL2278452 0.80 DGAT1 (0.36) DGAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US disclosed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 DGAT1 4740/4885SYK 1/4885MAP4K1 462/4885

“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.