SCHEMBL14737714

SCHEMBL14737714

CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C#N)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.62
CTSK P43235 2/20 0.51
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
GAA P10253 2/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD11B1 P28845 3/20 0.43
EPHX1 P07099 2/20 0.43
JAK3 P52333 1/20 0.40
KCNA3 P22001 1/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CYP2C9 P11712 1/20 0.38
DRD2 P14416 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37

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
SCHEMBL2223739 1.00 BTK (0.62) BTKCTSKCA1CA2GAA
SCHEMBL19192616 1.00 BTK (0.62) BTKCTSKCA1CA2GAA
SCHEMBL31644744 1.00 BTK (0.62) BTKCTSKCA1CA2GAA
SCHEMBL14737713 1.00 BTK (0.62) BTKCTSKCA1CA2GAA
SCHEMBL25455746 0.91 BTK (0.54) BTKCTSKCA1CA2GAA
SCHEMBL31629826 0.91 BTK (0.54) BTKCTSKCA1CA2GAA
SCHEMBL25640416 0.91 BTK (0.54) BTKCTSKCA1CA2GAA
SCHEMBL3898086 0.91 BTK (0.54) BTKCTSKCA1CA2GAA
SCHEMBL14737711 0.91 BTK (0.54) BTKCTSKCA1CA2GAA
SCHEMBL8271202 0.91 BTK (0.54) BTKCTSKCA1CA2GAA

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 BTK 7/4885CTSK 876/4885CA1 4390/4885

“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.