SCHEMBL2279459

SCHEMBL2279459

CC1(C(=O)c2cn(COCC[Si](C)(C)C)c3ncc(-c4cccc(N5C[C@@H]6[C@H](CO)[C@@H]6C5)c4)nc23)CCCC1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
DGAT1 O75907 4/20 0.32
KLKB1 P03952 1/20 0.31

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
SCHEMBL2279457 1.00 BRD4 (0.32) BRD4CREBBPDGAT1KLKB1
SCHEMBL2279460 1.00 BRD4 (0.32) BRD4CREBBPDGAT1KLKB1
SCHEMBL2362554 0.99 BRD4 (0.32) BRD4CREBBPDGAT1KLKB1
SCHEMBL2274276 0.99 BRD4 (0.32) BRD4CREBBPDGAT1KLKB1
SCHEMBL2274280 0.99 BRD4 (0.32) BRD4CREBBPDGAT1KLKB1
SCHEMBL2274274 0.99 BRD4 (0.32) BRD4CREBBPDGAT1KLKB1
SCHEMBL2277480 0.87 DGAT1 (0.35) BRD4CREBBPDGAT1KLKB1
SCHEMBL2277471 0.87 DGAT1 (0.35) BRD4CREBBPDGAT1KLKB1
SCHEMBL2277476 0.87 DGAT1 (0.35) BRD4CREBBPDGAT1KLKB1
SCHEMBL2278535 0.84 DGAT1 (0.34) BRD4CREBBPDGAT1KLKB1

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 3 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US 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 BRD4 546/4885CREBBP 2238/4885DGAT1 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.