SCHEMBL1352369

SCHEMBL1352369

[c]1nc(-c2cc3ccccc3[nH]2)co1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.49
AURKB Q96GD4 1/20 0.49
GSK3B P49841 1/20 0.48
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
ITK Q08881 3/20 0.43
CYP19A1 P11511 1/20 0.43
ATP4A P20648 2/20 0.43
ATP4B P51164 2/20 0.43
KDM4E B2RXH2 4/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
KMT2A Q03164 3/20 0.42
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
CHEK1 O14757 1/20 0.42

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
SCHEMBL23641151 0.73 GSK3B (0.62) AURKAAURKBGSK3BRAB9ANPC1
SCHEMBL6469991 0.72 AURKA (0.50) AURKAAURKBGSK3BRAB9ANPC1
SCHEMBL6699549 0.72 AURKA (0.50) AURKAAURKBGSK3BRAB9ANPC1
SCHEMBL2878957 0.72 AURKA (0.50) AURKAAURKBGSK3BRAB9ANPC1
SCHEMBL29631691 0.72 RAB9A (0.74) AURKAAURKBGSK3BRAB9ANPC1
SCHEMBL374022 0.72 RAB9A (0.74) AURKAAURKBGSK3BRAB9ANPC1
SCHEMBL28399450 0.71 RAB9A (0.61) AURKAAURKBGSK3BRAB9ANPC1
SCHEMBL17626020 0.71 ATP4A (0.49) AURKAAURKBGSK3BRAB9ANPC1
SCHEMBL2922691 0.71 RAB9A (0.47) AURKAAURKBGSK3BRAB9ANPC1
SCHEMBL1067723 0.71 GSK3B (0.55) AURKAAURKBGSK3BRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US disclosed
EP-2571881-A1 PYRROLOPYRAZINE DERIVATIVES AS SYK AND JAK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP disclosed
EP-2571880-A1 PYRROLO [2, 3 - B]PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2013-03-27 EP disclosed
US-8329699-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-20110288097-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 US disclosed
WO-2011144584-A1 PYRROLOPYRAZINE DERIVATIVES AS SYK AND JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO disclosed
WO-2011144585-A1 PYRROLO [2, 3 - B] PYRAZINE - 7 - CARBOXAMIDE DERIVATIVES AND THEIR USE AS JAK AND SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-11-24 WO disclosed
US-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors HENDRICKS ROBERT THAN (US) 2011-11-24 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 (3 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-20110288067-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 AURKA 943/4885AURKB 931/4885GSK3B 876/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 AURKA 943/4885AURKB 931/4885GSK3B 876/4885
US-20110288097-A1 Pyrrolopyrazine Kinase Inhibitors SYK, ZAP70, JAK2 AURKA 879/4885AURKB 887/4885GSK3B 1316/4885

“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.