SCHEMBL1713150

SCHEMBL1713150

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cc(N)c4cc[nH]c4c3)nc12

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 10/20 0.49
SYK P43405 10/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2D6 P10635 1/20 0.38

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
SCHEMBL1634596 0.84 JAK3 (0.55) JAK3SYKCYP2C9
SCHEMBL1633950 0.84 JAK3 (0.46) JAK3SYKCYP2C9
SCHEMBL1634525 0.83 HTR6 (0.47) JAK3SYKCYP2C9
SCHEMBL3425831 0.82 JAK3 (0.55) JAK3SYKCYP2C9
SCHEMBL1634945 0.82 JAK3 (0.55) JAK3SYKCYP2C9CYP2D6
SCHEMBL2276455 0.82 JAK3 (0.40) JAK3SYKCYP2C9
SCHEMBL1635625 0.81 JAK3 (0.41) JAK3SYKCYP2C9
SCHEMBL1635261 0.81 JAK3 (0.46) JAK3SYKCYP2C9
SCHEMBL2280607 0.81 JAK3 (0.39) JAK3SYKCYP2C9
SCHEMBL2271951 0.81 JAK3 (0.43) JAK3SYKCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2245033-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed
EP-2247595-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-07-20 EP claimed
EP-2247595-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP claimed
EP-2245033-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-03 EP claimed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US claimed
WO-2009106441-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
WO-2009106445-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US claimed
EP-2247595-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
US-20100267666-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2010-10-21 US disclosed
WO-2009106445-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 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-20100267666-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, TYK2 JAK3 7/4885SYK 1/4885CYP2C9 3511/4885
US-20090215724-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK1 JAK3 7/4885SYK 1/4885CYP2C9 3169/4885

“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.