SCHEMBL2378085

SCHEMBL2378085

CCn1cc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CCCC4)C(C)(C)C)c3n2)cn1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.62
JAK2 O60674 10/20 0.62
JAK1 P23458 10/20 0.62
TYK2 P29597 1/20 0.50
SYK P43405 4/20 0.47
KCNH2 Q12809 1/20 0.46
MAPK1 P28482 1/20 0.44
CYP2C9 P11712 1/20 0.43

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
SCHEMBL12332949 1.00 JAK3 (0.62) JAK3JAK2JAK1TYK2SYK
SCHEMBL12332945 0.92 JAK3 (0.56) JAK3JAK2JAK1TYK2SYK
SCHEMBL2377070 0.91 JAK3 (0.60) JAK3JAK2JAK1TYK2SYK
SCHEMBL2379145 0.91 JAK3 (0.58) JAK3JAK2JAK1TYK2SYK
SCHEMBL2379395 0.89 JAK1 (0.70) JAK3JAK2JAK1TYK2SYK
SCHEMBL2378807 0.87 JAK3 (0.64) JAK3JAK2JAK1TYK2SYK
SCHEMBL2378340 0.86 JAK3 (0.59) JAK3JAK2JAK1TYK2SYK
SCHEMBL12247471 0.86 JAK1 (0.59) JAK3JAK2JAK1TYK2SYK
SCHEMBL2378970 0.86 JAK1 (0.59) JAK3JAK2JAK1TYK2SYK
SCHEMBL12247461 0.86 JAK3 (0.59) JAK3JAK2JAK1TYK2SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 US claimed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
US-8518945-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2013-08-27 US disclosed
WO-2011117145-A2 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-09-29 WO disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 US disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 US disclosed
US-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN 2011-09-22 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-20110230462-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, BTK JAK3 13/4885JAK2 5/4885JAK1 6/4885

“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.