SCHEMBL1894471

SCHEMBL1894471

CC(C)(C)C(=O)c1c[nH]c2ncc(-c3cn(CC(=O)N4CCC(N)CC4)c4ccccc34)nc12

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.41
ALDH1A1 P00352 2/20 0.40
JAK3 P52333 5/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TSHR P16473 2/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
CYP2D6 P10635 1/20 0.38
SYK P43405 1/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 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
SCHEMBL1890055 0.90 KMT2A (0.45) CREBBPALDH1A1JAK3L3MBTL1TSHR
SCHEMBL1892627 0.90 L3MBTL1 (0.39) CREBBPALDH1A1JAK3L3MBTL1CYP2D6
SCHEMBL1892786 0.83 CA12 (0.46) ALDH1A1JAK3L3MBTL1CYP2D6SYK
SCHEMBL1891936 0.82 JAK3 (0.43) ALDH1A1JAK3L3MBTL1CYP2D6SYK
SCHEMBL1895614 0.81 SYK (0.43) ALDH1A1JAK3L3MBTL1CYP2D6SYK
SCHEMBL1893780 0.80 SYK (0.44) JAK3CYP2D6SYKJAK2JAK1
SCHEMBL1894606 0.80 SYK (0.42) ALDH1A1JAK3L3MBTL1CYP2D6SYK
SCHEMBL1889018 0.79 GSK3B (0.47) SYK
SCHEMBL1893200 0.79 JAK3 (0.46) JAK3CYP2D6SYKJAK2JAK1
SCHEMBL1895194 0.78 SYK (0.44) ALDH1A1JAK3L3MBTL1CYP2D6SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP claimed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US claimed
EP-2247592-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP claimed
WO-2009106442-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO claimed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US claimed
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
EP-2247592-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-08-31 EP disclosed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
US-7939531-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-05-10 US disclosed
EP-2247592-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-10 EP disclosed
WO-2009106442-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
WO-2009106442-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-03 WO disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215750-A1 Pyrrolopyrazine kinase inhibitors ROCHE PALO ALTO LLC 2009-08-27 US disclosed
US-20090215750-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 (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-20090215750-A1 Pyrrolopyrazine kinase inhibitors SYK, ZAP70, JAK2 CREBBP 2036/4885ALDH1A1 4339/4885JAK3 7/4885

“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.