SCHEMBL1674072

SCHEMBL1674072

COc1ccc(CNc2ncc(Br)n3ccnc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.46
KARS1 Q15046 1/20 0.46
GAA P10253 3/20 0.44
MAPT P10636 3/20 0.44
NPC1 O15118 2/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
CDK1 P06493 2/20 0.43
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
CCNB2 O95067 1/20 0.43
CCNB1 P14635 1/20 0.43
CCNB3 Q8WWL7 1/20 0.43
THRB P10828 2/20 0.43
EGFR P00533 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL10169193 0.79 PDE3B (0.40) ZAP70KARS1MEN1KMT2AL3MBTL1
SCHEMBL11939103 0.79 ADORA3 (0.46) GAAMEN1KMT2AADORA3TP53
SCHEMBL29921884 0.78 TP53 (0.51) GAAMAPTNPC1MEN1RAB9A
SCHEMBL5394361 0.78 ADORA3 (0.56) ADORA3MAPK8
SCHEMBL12409255 0.78 TTK (0.52) ZAP70KARS1GAAMAPTADORA3
SCHEMBL30367418 0.76 CDK1 (0.45) ZAP70KARS1GAAMAPTNPC1
SCHEMBL5396405 0.76 NPC1 (0.47) ZAP70GAAMAPTNPC1MEN1
SCHEMBL19747594 0.76 MAPT (0.47) MAPTL3MBTL1CCNE2CCNE1CDK2
SCHEMBL12638530 0.76 ZAP70 (0.50) ZAP70KARS1NPC1ADORA3CDK1
SCHEMBL2025860 0.76 ZAP70 (0.50) ZAP70KARS1NPC1ADORA3CDK1

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 6 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
US-7893058-B2 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA NV (BE) 2011-02-22 US disclosed
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2007-12-06 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-20110218178-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IKZF3, IRAK2, IRAK1 ZAP70 792/4885KARS1 3594/4885GAA 4135/4885
US-20110092497-A1 IMIDAZOLOPYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES IKZF3, IRAK2, IRAK1 ZAP70 792/4885KARS1 3594/4885GAA 4135/4885
US-20070281943-A1 Imidazolopyrazine compounds useful for the treatment of degenerative and inflammatory diseases IKZF3, IRAK2, IRAK1 ZAP70 792/4885KARS1 3594/4885GAA 4135/4885

“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.