SCHEMBL543601

SCHEMBL543601

Cc1nc2cccc(I)n2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.47
NUDT1 P36639 2/20 0.35
PDE10A Q9Y233 3/20 0.33
HSD17B10 Q99714 2/20 0.33
PDE4A P27815 1/20 0.33
CYP11B2 P19099 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
HAVCR2 Q8TDQ0 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
XDH P47989 1/20 0.32
AHR P35869 1/20 0.32
JAK1 P23458 1/20 0.31
KMT2A Q03164 2/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 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
SCHEMBL258972 0.79 EGLN2 (0.50) EGLN2PDE10ACYP11B2
SCHEMBL21807360 0.76 AHR (0.54) EGLN2NUDT1PDE10AHSD17B10CYP11B2
SCHEMBL19659205 0.73 EGLN2 (0.45) EGLN2NUDT1PDE10AHSD17B10PDE4A
SCHEMBL19658704 0.73 EGLN2 (0.45) EGLN2NUDT1PDE10ACYP11B2
SCHEMBL543371 0.72 EGLN2 (0.44) EGLN2NUDT1PDE10AHSD17B10CYP11B2
SCHEMBL544044 0.72 EGLN2 (0.48) EGLN2NUDT1PDE10APDE4ACYP11B2
SCHEMBL19658711 0.72 PDE10A (0.44) EGLN2PDE10AHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL19659204 0.72 EGLN2 (0.68) EGLN2NUDT1SMN1; SMN2ALDH1A1JAK1
SCHEMBL20088537 0.71 EGLN2 (0.36) EGLN2PDE10AMAPK1HAVCR2KMT2A
SCHEMBL543707 0.71 EGLN2 (0.47) EGLN2NUDT1PDE10ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2141150-B1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2013-12-11 EP disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-8110585-B2 Bicyclic compound and pharmaceutical use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-07 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
US-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-05-27 US disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP disclosed
EP-2141150-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-01-06 EP 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-20100130538-A1 BICYCLIC COMPOUND AND PHARMACEUTICAL USE THEREOF MTNR1A, MTNR1B, XDH EGLN2 176/4885NUDT1 1776/4885PDE10A 3070/4885

“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.