SCHEMBL1895003

SCHEMBL1895003

CCN(CC)C(=O)c1ccc(-c2cnc3[nH]cc(C(=O)C4(C)CCCCC4)c3n2)s1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
CYP2D6 P10635 4/20 0.35
KCNH2 Q12809 2/20 0.35
OPRD1 P41143 1/20 0.35
SYK P43405 10/20 0.34
JAK3 P52333 7/20 0.33
JAK2 O60674 3/20 0.33
JAK1 P23458 3/20 0.33
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.32
PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL1897088 0.91 SYK (0.34) CYP2D6KCNH2SYKJAK3JAK2
SCHEMBL1889949 0.87 SYK (0.35) CYP2D6SYKJAK3JAK2JAK1
SCHEMBL2345189 0.87 SYK (0.37) KDM4EALDH1A1CYP2D6KCNH2SYK
SCHEMBL2349042 0.86 SYK (0.35) CYP2D6KCNH2SYKJAK3JAK2
SCHEMBL1889120 0.85 JAK3 (0.40) CYP2D6SYKJAK3JAK2JAK1
SCHEMBL12449311 0.85 SYK (0.38) KDM4ENPC1ALDH1A1RAB9ACYP2D6
SCHEMBL1893974 0.84 JAK3 (0.40) SYKJAK3JAK2JAK1CYP2C9
SCHEMBL14795227 0.84 KDM4E (0.43) KDM4ENPC1ALDH1A1RAB9ACYP2D6
SCHEMBL1891304 0.83 JAK3 (0.40) CYP2D6KCNH2SYKJAK3JAK2
SCHEMBL1889116 0.81 JAK3 (0.45) SYKJAK3JAK2JAK1

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 15 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
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 KDM4E 598/4885NPC1 4824/4885ALDH1A1 4339/4885

“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.