SCHEMBL2277097

SCHEMBL2277097

CC1(C(=O)c2cn(COCC[Si](C)(C)C)c3ncc(-c4cccc(I)c4)nc23)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 9/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
EGFR P00533 1/20 0.30
IGF1R P08069 1/20 0.30
SRC P12931 1/20 0.30
FLT4 P35916 1/20 0.30
KDR P35968 1/20 0.30
FLT3 P36888 1/20 0.30
EPHB4 P54760 1/20 0.30
TEK Q02763 1/20 0.30
KLKB1 P03952 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
SCHEMBL2279764 0.99 DGAT1 (0.33) DGAT1BRD4CREBBP
SCHEMBL2278535 0.91 DGAT1 (0.34) DGAT1BRD4CREBBPKLKB1
SCHEMBL2279642 0.90 DGAT1 (0.34) DGAT1BRD4CREBBP
SCHEMBL1890871 0.85 DGAT1 (0.35) DGAT1BRD4CREBBP
SCHEMBL2277308 0.85 MAP4K4 (0.36) DGAT1BRD4CREBBP
SCHEMBL2275635 0.84 DGAT1 (0.38) DGAT1BRD4CREBBPKLKB1
SCHEMBL2279459 0.84 BRD4 (0.32) DGAT1BRD4CREBBPKLKB1
SCHEMBL2277309 0.84 LDHA (0.36) DGAT1BRD4CREBBPSRCKDR
SCHEMBL2279460 0.84 BRD4 (0.32) DGAT1BRD4CREBBPKLKB1
SCHEMBL2279457 0.84 BRD4 (0.32) DGAT1BRD4CREBBPKLKB1

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 6 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
CN-101952295-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2011-01-19 CN 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 4740/4885BRD4 546/4885CREBBP 2238/4885

“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.