SCHEMBL2379301

SCHEMBL2379301

COc1cc(-c2cnc3[nH]cc(C(=O)N[C@H](C)C(=O)N4CC(C#N)C4)c3n2)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 19/20 1.00
JAK1 P23458 19/20 1.00
JAK3 P52333 19/20 1.00
CYP2C9 P11712 1/20 0.68
SYK P43405 1/20 0.68
TYK2 P29597 1/20 0.62

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
SCHEMBL2378236 0.84 JAK3 (0.73) JAK2JAK1JAK3TYK2
SCHEMBL2377096 0.82 JAK2 (0.70) JAK2JAK1JAK3TYK2
SCHEMBL2378235 0.82 JAK1 (0.70) JAK2JAK1JAK3CYP2C9SYK
SCHEMBL2378535 0.82 JAK2 (0.70) JAK2JAK1JAK3TYK2
SCHEMBL2280040 0.82 SYK (1.00) JAK2JAK1JAK3CYP2C9SYK
SCHEMBL2380310 0.81 JAK2 (1.00) JAK2JAK1JAK3TYK2
SCHEMBL2378523 0.81 JAK2 (0.68) JAK2JAK1JAK3TYK2
SCHEMBL2379596 0.81 JAK1 (1.00) JAK2JAK1JAK3TYK2
SCHEMBL14751526 0.80 JAK2 (1.00) JAK2JAK1JAK3SYKTYK2
SCHEMBL2379061 0.80 JAK2 (0.67) JAK2JAK1JAK3TYK2

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 JAK2 5/4885JAK1 6/4885JAK3 13/4885

“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.