SCHEMBL175002

SCHEMBL175002

Fc1ccc(Sc2nc(Nc3ccn[nH]3)c3cc[nH]c3n2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.48
AURKA O14965 2/20 0.48
SRC P12931 2/20 0.48
GSK3A P49840 1/20 0.40
SOD1 P00441 1/20 0.39
TTBK1 Q5TCY1 5/20 0.38
TTBK2 Q6IQ55 5/20 0.38
NTRK1 P04629 1/20 0.37
TGFBR1 P36897 5/20 0.36
TGFBR2 P37173 5/20 0.36
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
SYK P43405 1/20 0.33
CHRNA7 P36544 1/20 0.33
HDAC1 Q13547 1/20 0.33

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
SCHEMBL162870 0.77 TRPA1 (0.40) TTBK1TTBK2TGFBR1TGFBR2MKNK1
SCHEMBL173973 0.76 AURKA (0.59) GSK3BAURKASRCNTRK1
SCHEMBL166205 0.74 TRPA1 (0.38) TTBK1TTBK2TGFBR1TGFBR2MKNK1
SCHEMBL174728 0.69 MEN1 (0.39) GSK3BAURKATTBK1TTBK2
SCHEMBL162207 0.66 MEN1 (0.44) GSK3BAURKATTBK1TTBK2
SCHEMBL27700384 0.65 GSK3A (0.43) GSK3BGSK3ASOD1NTRK1
SCHEMBL31669638 0.64 MEN1 (0.50) CHRNA7
SCHEMBL12082734 0.64 CDC7 (0.46) GSK3ASYK
SCHEMBL6661474 0.63 TRPA1 (0.52) GSK3BAURKAGSK3ATTBK1TTBK2
SCHEMBL786696 0.58 GSK3B (0.87) GSK3BAURKASRCGSK3ATGFBR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-11-14 US disclosed
EP-2611809-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2013-07-10 EP disclosed
WO-2012030924-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2012-03-08 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 (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-20130303533-A1 AZOLOPYRIDINE AND AZOLOPYRIMIDINE COMPOUNDS AND METHODS OF USE THEREOF JAK3, JAK2, JAK1 GSK3B 353/4885AURKA 174/4885SRC 98/4885

“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.