SCHEMBL14738908

SCHEMBL14738908

O=C(ON[C@H]1CCCOC1)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.32
EPHX2 P34913 3/20 0.32
EPHX1 P07099 1/20 0.32
NAMPT P43490 1/20 0.30
GSK3B P49841 1/20 0.30
KCNH2 Q12809 1/20 0.30
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL2036367 0.90 HDAC3 (0.32) CCR2
SCHEMBL28626663 0.81 EPHX1 (0.34) EPHX2EPHX1
SCHEMBL27746258 0.79 EPHX1 (0.41) EPHX2EPHX1
SCHEMBL1787822 0.79 EPHX1 (0.41) EPHX2EPHX1
SCHEMBL27716512 0.77 PKM (0.36)
SCHEMBL21640229 0.71 EPHX2 (0.33) CCR2EPHX2NAMPTGSK3BKCNH2
SCHEMBL30103443 0.70 EPHX1 (0.40) EPHX2EPHX1NAMPTMAPK8MAPK9
SCHEMBL12274172 0.70
SCHEMBL21645223 0.70 IRAK4 (0.36)
SCHEMBL2226232 0.69 BTK (0.56) EPHX2EPHX1

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 CCR2 1903/4885EPHX2 3865/4885EPHX1 3502/4885

“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.