SCHEMBL10169193

SCHEMBL10169193

COc1ccc(Cc2ncc(Br)n3ccnc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
PDE10A Q9Y233 2/20 0.40
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LTA4H P09960 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP11B1 P15538 1/20 0.35
ZAP70 P43403 1/20 0.35
KARS1 Q15046 1/20 0.35
CYP2D6 P10635 1/20 0.35
ATM Q13315 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
SCHEMBL1674072 0.79 ZAP70 (0.46) POLBLMNATDP1L3MBTL1RXFP1
SCHEMBL8040093 0.76 PTPN1 (0.37)
SCHEMBL5396405 0.71 NPC1 (0.47) MAPK1ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL5404502 0.70 PRMT5 (0.32)
Ammonia Solution, Strong SCHEMBL29153964 0.68 PDE3B (0.58) PDE3BPDE3APDE10APOLBALDH1A1
SCHEMBL9772608 0.68 RAB9A (0.39) PDE3BPDE3APDE10AALDH1A1LMNA
SCHEMBL4005329 0.67 HCRTR1 (0.38) PDE3BPDE3A
SCHEMBL5408793 0.66 MAPT (0.46) ALDH1A1SMN1; SMN2TDP1
SCHEMBL1868782 0.65 ALDH1A1 (0.53) PDE3BPDE3APDE10APOLBALDH1A1
SCHEMBL25114905 0.64 SMN1; SMN2 (0.38) PDE3AALDH1A1SMN1; SMN2TDP1L3MBTL1

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-8178530-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-15 US disclosed
US-8173656-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2012-05-08 US disclosed
US-20110218178-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV 2011-09-08 US disclosed
US-20110092497-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA NV 2011-04-21 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-20110218178-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IKZF3, IRAK2, IRAK1 PDE3B 861/4885PDE3A 404/4885PDE10A 1971/4885
US-20110092497-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IKZF3, IRAK2, IRAK1 PDE3B 861/4885PDE3A 404/4885PDE10A 1971/4885

“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.