SCHEMBL275207

SCHEMBL275207

Brc1cnc(Nc2ccccc2)c2nccn12

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TTK P33981 1/20 0.46
SRC P12931 1/20 0.43
AURKA O14965 1/20 0.42
IGF1R P08069 1/20 0.42
MAPKAPK5 Q8IW41 6/20 0.41
FYN P06241 1/20 0.40
WEE1 P30291 1/20 0.40
BACE1 P56817 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39
SYK P43405 1/20 0.37
MAPK8 P45983 1/20 0.37

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
SCHEMBL3469708 0.94 TTK (0.52) TTKSRCAURKAIGF1RWEE1
SCHEMBL1674141 0.85 AURKA (0.44) AURKAMAPKAPK5FYNBACE1BACE2
SCHEMBL1674131 0.84 MAPKAPK5 (0.48) TTKAURKAMAPKAPK5
SCHEMBL13321417 0.83 TTK (0.43) TTKAURKABACE1BACE2
SCHEMBL1674040 0.80 AURKA (0.47) AURKAMAPKAPK5MAPK8
SCHEMBL1674223 0.80 CD38 (0.43) AURKAMAPKAPK5FYN
SCHEMBL11939502 0.79 BACE1 (0.44) TTKAURKAMAPKAPK5BACE1BACE2
SCHEMBL2678424 0.79 MAPKAPK5 (0.40) TTKMAPKAPK5BACE1BACE2
SCHEMBL1673999 0.78 MAPKAPK5 (0.67) AURKAIGF1RMAPKAPK5FYNSYK
SCHEMBL1674062 0.78 TP53 (0.48) TTKMAPKAPK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138193-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-20 US disclosed
US-8138193-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-20 US disclosed
US-8138193-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-20 US disclosed
US-8133895-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-13 US disclosed
US-8133895-B2 Fused pyrazine compounds useful for the treatment of degenerative and inflammatory diseases JANSSEN PHARMACEUTICA N.V. (BE) 2012-03-13 US disclosed
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-09-23 US disclosed
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-09-23 US disclosed
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES ANDREWS MARTIN JAMES INGLIS 2010-09-23 US disclosed
US-20090131446-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflmmatory diseases GALAPAGOS, N.V. (BE) 2009-05-21 US disclosed
US-20090131446-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflmmatory diseases GALAPAGOS, N.V. (BE) 2009-05-21 US disclosed
WO-2008138843-A1 IMIDAZOPYRIDINES AND TRIAZOLOPYRIMIDINES USEFUL FOR THE TREATMENT OF JOINT DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-11-20 WO disclosed
WO-2008138843-A1 IMIDAZOPYRIDINES AND TRIAZOLOPYRIMIDINES USEFUL FOR THE TREATMENT OF JOINT DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS N.V. (BE) 2008-11-20 WO 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-20090131446-A1 Fused pyrazine compounds useful for the treatment of degenerative and inflmmatory diseases NOD1, TNF, NOD2 TTK 4697/4885SRC 4688/4885AURKA 4025/4885
US-20100240666-A1 FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES RRP15, RARS2, RO60 TTK 4724/4885SRC 4473/4885AURKA 4493/4885

“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.