SCHEMBL12299560

SCHEMBL12299560

CCn1cc(-c2cnc3[nH]cc(C(=O)N[C@H](O)C(=O)N4CCC(F)(F)C4)c3n2)cn1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.61
JAK2 O60674 10/20 0.61
JAK1 P23458 10/20 0.61
MAPK1 P28482 1/20 0.42
SYK P43405 4/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL12333200 1.00 JAK3 (0.61) JAK3JAK2JAK1MAPK1SYK
SCHEMBL2377964 0.90 JAK1 (0.60) JAK3JAK2JAK1MAPK1
SCHEMBL12333199 0.88 JAK3 (0.57) JAK3JAK2JAK1MAPK1SYK
SCHEMBL12332955 0.88 JAK3 (0.57) JAK3JAK2JAK1MAPK1SYK
SCHEMBL12299968 0.87 JAK3 (0.62) JAK3JAK2JAK1MAPK1SYK
SCHEMBL2378559 0.85 JAK1 (0.62) JAK3JAK2JAK1MAPK1SYK
SCHEMBL2377070 0.85 JAK3 (0.60) JAK3JAK2JAK1MAPK1SYK
SCHEMBL12333270 0.83 JAK2 (0.51) JAK3JAK2JAK1MAPK1SYK
SCHEMBL12299590 0.83 JAK2 (0.51) JAK3JAK2JAK1MAPK1SYK
SCHEMBL2379800 0.82 JAK2 (0.72) 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-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

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.