SCHEMBL1372292

SCHEMBL1372292

O=C(O)c1c[nH]c2ncc(-c3ccc(C(=O)N4CC5(COC5)C4)s3)nc12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 1/20 0.35
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
JAK3 P52333 4/20 0.34
SYK P43405 11/20 0.33
PDE10A Q9Y233 2/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2D6 P10635 1/20 0.32
KCNH2 Q12809 1/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL14795104 0.86 SYK (0.34) JAK3SYKCYP2C9CYP2D6KCNH2
SCHEMBL1368804 0.85 JAK3 (0.51) JAK3SYKCYP2C9
SCHEMBL15755367 0.84 JAK3 (0.43) NPC1ALDH1A1MAPTPKMRAB9A
SCHEMBL1371405 0.84 PIK3C3 (0.37) PIK3C3JAK3SYKPDE10ACYP2C9
SCHEMBL14795131 0.83 GRM5 (0.43) NPC1ALDH1A1MAPTPKMRAB9A
SCHEMBL14795159 0.82 NPC1 (0.47) NPC1ALDH1A1MAPTPKMRAB9A
SCHEMBL14795160 0.81 SYK (0.37) NPC1ALDH1A1MAPTPKMRAB9A
SCHEMBL15755492 0.81 NPC1 (0.35) NPC1ALDH1A1MAPTPKMRAB9A
SCHEMBL14795327 0.80 JAK3 (0.35) JAK3SYKCYP2C9
SCHEMBL15755396 0.80 JAK1 (0.36) JAK3

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 4 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 claimed
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2014-06-05 US 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-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 (2 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 PIK3C3 19/4885NPC1 4835/4885ALDH1A1 4484/4885
US-20140155376-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK2 PIK3C3 19/4885NPC1 4835/4885ALDH1A1 4484/4885

“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.