SCHEMBL14738517

SCHEMBL14738517

CN1CCN(C(=O)Cn2nc(-c3cnc4c(n3)c(C(=O)NC(C)(C)C)cn4COCC[Si](C)(C)C)c3cc(OC(F)F)ccc32)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SYK P43405 15/20 0.52
KCNH2 Q12809 6/20 0.52
CYP2D6 P10635 3/20 0.52
CYP2C9 P11712 3/20 0.51
DGAT1 O75907 1/20 0.33
JAK2 O60674 3/20 0.32
JAK1 P23458 3/20 0.32
P2RY12 Q9H244 1/20 0.32

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
SCHEMBL14738612 0.93 SYK (0.49) SYKKCNH2CYP2D6CYP2C9DGAT1
SCHEMBL14737359 0.89 SYK (0.51) SYKKCNH2CYP2D6CYP2C9DGAT1
SCHEMBL14737309 0.88 SYK (0.68) SYKKCNH2CYP2D6CYP2C9DGAT1
SCHEMBL14737571 0.88 SYK (0.57) SYKKCNH2CYP2D6CYP2C9DGAT1
SCHEMBL14738512 0.87 SYK (0.63) SYKKCNH2CYP2D6CYP2C9DGAT1
SCHEMBL14737428 0.87 SYK (0.56) SYKKCNH2CYP2D6CYP2C9DGAT1
SCHEMBL14737475 0.87 SYK (0.54) SYKKCNH2CYP2D6CYP2C9DGAT1
SCHEMBL14737712 0.87 SYK (0.60) SYKKCNH2CYP2D6CYP2C9DGAT1
SCHEMBL14737287 0.87 SYK (0.52) SYKKCNH2CYP2D6CYP2C9DGAT1
SCHEMBL14738051 0.87 SYK (0.50) SYKKCNH2CYP2D6CYP2C9DGAT1

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 9 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-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US 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
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US 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 SYK 1/4885KCNH2 3389/4885CYP2D6 2796/4885

“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.