SCHEMBL14737778

SCHEMBL14737778

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

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.43
SYK P43405 11/20 0.39
CYP2C9 P11712 2/20 0.39
KCNH2 Q12809 1/20 0.39
PCSK9 Q8NBP7 3/20 0.37
CNR2 P34972 1/20 0.35

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
SCHEMBL14737680 0.95 SYK (0.38) KDM4CSYKCYP2C9KCNH2
SCHEMBL14737753 0.92 KDM4C (0.38) KDM4CSYKCYP2C9KCNH2
SCHEMBL14737950 0.90 GRIN2B (0.41) KDM4CSYK
SCHEMBL14738203 0.87 DGAT1 (0.37) KDM4CSYK
SCHEMBL14751363 0.87 CNR2 (0.43) KDM4CSYKCYP2C9KCNH2CNR2
SCHEMBL14737345 0.87 SYK (0.46) KDM4CSYKCYP2C9
SCHEMBL14751421 0.85 SYK (0.38) KDM4CSYKCYP2C9KCNH2
SCHEMBL14738088 0.84 SYK (0.42) KDM4CSYKCYP2C9
SCHEMBL14738309 0.82 SYK (0.45) SYKCYP2C9KCNH2CNR2
SCHEMBL14738237 0.81 SYK (0.39) KDM4CSYK

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.