SCHEMBL3433507

SCHEMBL3433507

CCC1(C(=O)c2c[nH]c3ncc(-c4ccc(C(=O)N5CCN(C)CC5)s4)nc23)CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RAB9A P51151 2/20 0.39
JAK3 P52333 15/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
SYK P43405 2/20 0.34
ERN1 O75460 1/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34

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
SCHEMBL3425712 0.92 ALDH1A1 (0.42) KDM4ENPC1ALDH1A1RAB9AJAK3
SCHEMBL1886895 0.89 KDM4E (0.41) KDM4ENPC1ALDH1A1RAB9AJAK3
SCHEMBL14795159 0.83 NPC1 (0.47) KDM4ENPC1ALDH1A1RAB9AJAK3
SCHEMBL1891304 0.83 JAK3 (0.40) JAK3SYKJAK2JAK1
SCHEMBL1891154 0.82 NPC1 (0.43) NPC1ALDH1A1RAB9AJAK3MAPT
SCHEMBL1893368 0.81 JAK3 (0.38) JAK3SYKJAK2JAK1
SCHEMBL1891272 0.80 JAK3 (0.40) JAK3SYKJAK2JAK1
SCHEMBL14795131 0.78 GRM5 (0.43) KDM4ENPC1ALDH1A1RAB9AJAK3
SCHEMBL1899236 0.77 CNR2 (0.35) JAK3SYKJAK2JAK1
SCHEMBL1890867 0.77 JAK3 (0.38) 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
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
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.