SCHEMBL1894972

SCHEMBL1894972

CC1(C(=O)c2c[nH]c3ncc(-c4cccs4)nc23)CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.38
SYK P43405 8/20 0.38
JAK3 P52333 4/20 0.37
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
CYP2D6 P10635 2/20 0.37
NPC1 O15118 3/20 0.36
KDM4E B2RXH2 3/20 0.36
RAB9A P51151 2/20 0.36
CYP2C9 P11712 2/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
MAPK10 P53779 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD11B1 P28845 1/20 0.35
ATR Q13535 1/20 0.35

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
SCHEMBL2345189 0.83 SYK (0.37) SYKJAK3JAK2JAK1CYP2D6
SCHEMBL12449311 0.81 SYK (0.38) SYKJAK3JAK2JAK1CYP2D6
SCHEMBL3395862 0.80 KDM4E (0.48) NOS1JAK3JAK2JAK1NPC1
SCHEMBL1891304 0.79 JAK3 (0.40) SYKJAK3JAK2JAK1CYP2D6
SCHEMBL1368569 0.79 JAK3 (0.57) SYKJAK3JAK2JAK1CYP2C9
SCHEMBL2276425 0.79 JAK3 (0.42) SYKJAK3JAK2JAK1CYP2D6
SCHEMBL1887720 0.79 MAPT (0.39) SYKJAK3JAK2JAK1CYP2D6
SCHEMBL1886895 0.79 KDM4E (0.41) SYKJAK3JAK2JAK1CYP2D6
SCHEMBL1896593 0.78 JAK3 (0.49) NOS1SYKJAK3CYP2D6KDM4E
SCHEMBL3060951 0.78 SYK (0.40) SYKJAK3JAK2JAK1CYP2D6

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 11 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 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 NOS1 1029/4885SYK 1/4885JAK3 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.