SCHEMBL2276930

SCHEMBL2276930

COC(=O)C(C)(C)CCCC#N

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
TSHR P16473 1/20 0.33
DGAT1 O75907 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
CTSS P25774 3/20 0.31
CTSK P43235 3/20 0.31
PLCG1 P19174 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
SCHEMBL10010915 0.81 MEN1 (0.43) MEN1KMT2ACYP4F2CYP4A11TSHR
SCHEMBL9216534 0.81 CYP4F2 (0.37) MEN1KMT2ACYP4F2CYP4A11DGAT1
SCHEMBL9009596 0.80 MEN1 (0.46) MEN1KMT2ATSHRCTSSCTSK
SCHEMBL28376911 0.79 MEN1 (0.41) MEN1KMT2ATSHRCTSSCTSK
SCHEMBL7707930 0.78 CYP4F2 (0.39) CYP4F2CYP4A11DGAT1
SCHEMBL2278966 0.78 ACACB (0.52) MEN1KMT2ATSHRACACBACACA
SCHEMBL10010512 0.78 MEN1 (0.40) MEN1KMT2ACYP4F2CYP4A11
SCHEMBL11157876 0.77 TBXAS1 (0.35) CYP4F2CYP4A11
SCHEMBL28437990 0.77 MEN1 (0.42) MEN1KMT2ATSHR
SCHEMBL2022397 0.76 DGAT1 (0.44) CYP4F2CYP4A11TSHRDGAT1

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 9 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
US-8008298-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-08-30 US 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
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US 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 MEN1 4142/4885KMT2A 1366/4885CYP4F2 1535/4885

“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.