SCHEMBL2277309

SCHEMBL2277309

CC1(C(=O)c2cn(COCC[Si](C)(C)C)c3ncc(-c4cccc(NCC5CCCC5)c4)nc23)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.36
LDHB P07195 1/20 0.36
DGAT1 O75907 4/20 0.36
PTPN1 P18031 1/20 0.35
TYRO3 Q06418 2/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
KCNH2 Q12809 1/20 0.31
ATM Q13315 1/20 0.31
ATR Q13535 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
CD38 P28907 1/20 0.31
JAK3 P52333 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
CNR1 P21554 1/20 0.30
LCK P06239 1/20 0.30
HCK P08631 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
SCHEMBL1890871 0.90 DGAT1 (0.35) LDHALDHBDGAT1PTPN1BRD4
SCHEMBL2279764 0.85 DGAT1 (0.33) DGAT1BRD4CREBBP
SCHEMBL2279642 0.85 DGAT1 (0.34) DGAT1BRD4CREBBP
SCHEMBL2277308 0.84 MAP4K4 (0.36) DGAT1BRD4CREBBP
SCHEMBL2278535 0.84 DGAT1 (0.34) DGAT1BRD4CREBBP
SCHEMBL2277097 0.84 DGAT1 (0.34) DGAT1BRD4CREBBPSRCKDR
SCHEMBL2274280 0.80 BRD4 (0.32) DGAT1BRD4CREBBP
SCHEMBL2274276 0.80 BRD4 (0.32) DGAT1BRD4CREBBP
SCHEMBL2274274 0.80 BRD4 (0.32) DGAT1BRD4CREBBP
SCHEMBL2362554 0.80 BRD4 (0.32) DGAT1BRD4CREBBP

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 LDHA 4626/4885LDHB 4388/4885DGAT1 4740/4885

“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.