SCHEMBL1370682

SCHEMBL1370682

CCCNC(=O)c1c[nH]c2ncc(Oc3ccccc3OC(F)(F)F)nc12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.56
JAK2 O60674 9/20 0.56
JAK1 P23458 9/20 0.56
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HCRTR1 O43613 1/20 0.37
HCN1 O60741 1/20 0.37
EPHX2 P34913 1/20 0.37
CYP2D6 P10635 1/20 0.37
SYK P43405 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
SCHEMBL1368902 0.90 JAK3 (0.55) JAK3JAK2JAK1MEN1KMT2A
SCHEMBL1368323 0.89 JAK3 (0.58) JAK3JAK2JAK1MEN1KMT2A
SCHEMBL1368681 0.88 JAK3 (0.59) JAK3JAK2JAK1MEN1KMT2A
SCHEMBL1368403 0.87 JAK3 (0.73) JAK3JAK2JAK1MEN1KMT2A
SCHEMBL1370680 0.86 JAK3 (0.74) JAK3JAK2JAK1SYK
SCHEMBL1370134 0.86 JAK3 (0.57) JAK3JAK2JAK1MEN1KMT2A
SCHEMBL1370816 0.86 JAK3 (0.61) JAK3JAK2JAK1
SCHEMBL2275885 0.86 JAK3 (0.41) JAK3JAK2JAK1MEN1KMT2A
SCHEMBL1371581 0.85 JAK3 (0.56) JAK3JAK2JAK1MEN1KMT2A
SCHEMBL1370877 0.84 JAK3 (0.71) JAK3JAK2JAK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 US claimed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 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 (2 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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 JAK3 7/4885JAK2 3/4885JAK1 5/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 JAK3 7/4885JAK2 3/4885JAK1 5/4885

“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.