SCHEMBL2276252

SCHEMBL2276252

CC(C)(C)C(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3ccc(N4CCNCC4)cc3)nc12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 8/20 0.39
ATR Q13535 5/20 0.36
ACVR1 Q04771 4/20 0.34
BMPR1B O00238 2/20 0.34
BMPR1A P36894 2/20 0.34
ACVRL1 P37023 2/20 0.34
P2RY14 Q15391 1/20 0.34
MAP4K1 Q92918 1/20 0.34
ACVR1B P36896 1/20 0.33
CDK4 P11802 1/20 0.33
CCND3 P30281 1/20 0.33

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
SCHEMBL2281494 0.91 PRKCI (0.40) DGAT1ACVR1BMPR1BACVRL1
SCHEMBL2279791 0.88 DGAT1 (0.44) DGAT1MAP4K1
SCHEMBL2277427 0.88 DGAT1 (0.40) DGAT1MAP4K1
SCHEMBL2279837 0.88 DGAT1 (0.39) DGAT1MAP4K1
SCHEMBL12372355 0.85 DGAT1 (0.42) DGAT1
SCHEMBL1635282 0.82 DGAT1 (0.36) DGAT1
SCHEMBL2280038 0.82 DGAT1 (0.33) DGAT1
SCHEMBL1635530 0.82 DGAT1 (0.34) DGAT1
SCHEMBL2273709 0.82 DGAT1 (0.40) DGAT1ATR
SCHEMBL2278452 0.82 DGAT1 (0.36) DGAT1ATR

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 4740/4885ATR 959/4885ACVR1 3547/4885

“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.