SCHEMBL14737753

SCHEMBL14737753

C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(-c3nn(CCN4CCOCC4)c4cc(Cl)ccc34)cnc21

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.38
SYK P43405 5/20 0.37
CYP2C9 P11712 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM5B Q9UGL1 2/20 0.37
NR3C1 P04150 1/20 0.35
JAK2 O60674 2/20 0.35
KMO O15229 2/20 0.34

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
SCHEMBL14737778 0.92 KDM4C (0.43) KDM4CSYKCYP2C9KCNH2
SCHEMBL14738237 0.90 SYK (0.39) KDM4CSYKJAK2KMO
SCHEMBL14737463 0.89 SYK (0.40) KDM4CSYKNR3C1JAK2KMO
SCHEMBL14737956 0.88 KDM4C (0.44) KDM4CSYKJAK2KMO
SCHEMBL14737694 0.88 SYK (0.38) KDM4CSYKKCNH2JAK2KMO
SCHEMBL14737410 0.87 SYK (0.48) KDM4CSYKCYP2C9JAK2
SCHEMBL14737680 0.87 SYK (0.38) KDM4CSYKCYP2C9KCNH2
SCHEMBL14737970 0.86 SYK (0.37) KDM4CSYKJAK2KMO
SCHEMBL14751349 0.85 SYK (0.39) SYKCYP2C9KCNH2KDM5BNR3C1
SCHEMBL14737316 0.85 SYK (0.35) KDM4CSYKJAK2

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-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 KDM4C 1619/4885SYK 1/4885CYP2C9 3710/4885

“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.