SCHEMBL14738713

SCHEMBL14738713

Cn1nc(-c2cnc3c(n2)c(C(=O)NC2CCCN(C(=O)OC(C)(C)C)C2)cn3COCC[Si](C)(C)C)c2ccc(Cl)cc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
SYK P43405 5/20 0.41
ANO1 Q5XXA6 2/20 0.40
JAK2 O60674 4/20 0.40
JAK1 P23458 4/20 0.40
JAK3 P52333 3/20 0.40
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAPK8 P45983 1/20 0.38
TYK2 P29597 1/20 0.38
PARP1 P09874 1/20 0.37
USP30 Q70CQ3 2/20 0.36
DGAT2 Q96PD7 2/20 0.36
GABRA5 P31644 1/20 0.36

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
SCHEMBL14738711 1.00 CNR1 (0.41) CNR1CNR2SYKANO1JAK2
SCHEMBL14744104 0.88 SYK (0.42) SYKJAK2JAK1JAK3TYK2
SCHEMBL14751120 0.88 SYK (0.42) CNR1CNR2SYKJAK2JAK1
SCHEMBL14751019 0.88 SYK (0.42) CNR1CNR2SYKJAK2JAK1
SCHEMBL14738230 0.88 SYK (0.43) SYKJAK2JAK1JAK3MAPK8
SCHEMBL14738200 0.86 SYK (0.46) SYKJAK2JAK1JAK3TYK2
SCHEMBL14746993 0.85 SYK (0.45) CNR2SYKJAK2JAK1JAK3
SCHEMBL14746951 0.85 SYK (0.45) CNR2SYKJAK2JAK1JAK3
SCHEMBL14746957 0.85 SYK (0.47) SYKJAK2JAK1JAK3TYK2
SCHEMBL14750178 0.85 SYK (0.45) CNR2SYKJAK2JAK1JAK3

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 CNR1 3290/4885CNR2 3309/4885SYK 1/4885

“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.