SCHEMBL175048

SCHEMBL175048

CSc1nc(Cl)c(C=O)c(Nc2cc(C)[nH]n2)n1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.52
CA2 P00918 3/20 0.52
CA7 P43166 3/20 0.52
CA13 Q8N1Q1 2/20 0.47
AURKA O14965 13/20 0.43
GSK3B P49841 10/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AURKB Q96GD4 7/20 0.43
SRC P12931 3/20 0.43
PLK4 O00444 1/20 0.43
PAK4 O96013 1/20 0.43
SYK P43405 1/20 0.38
PIK3C3 Q8NEB9 1/20 0.38

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
SCHEMBL173559 0.85 PAK4 (0.55) AURKAGSK3BMEN1HTTKMT2A
SCHEMBL18165979 0.79 AURKA (0.44) AURKAGSK3BMEN1HTTKMT2A
SCHEMBL12102876 0.75 MEN1 (0.52) AURKAGSK3BMEN1HTTKMT2A
SCHEMBL1058960 0.73 CA1 (0.71) CA1CA2CA7CA13MEN1
SCHEMBL4467804 0.72 CA1 (0.54) CA1CA2CA7CA13HTT
SCHEMBL25207733 0.72 CA1 (0.56) CA1CA2CA7CA13MEN1
SCHEMBL30924263 0.72 CA1 (0.56) CA1CA2CA7CA13MEN1
SCHEMBL30353136 0.71 JAK2 (0.51) AURKAGSK3BMEN1HTTKMT2A
SCHEMBL1062896 0.71 CA1 (0.58) CA1CA2CA7CA13AURKA
SCHEMBL4908609 0.70 IGF1R (0.62) AURKAGSK3BAURKBSRC

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 CA1 4409/4885CA2 2837/4885CA7 3350/4885

“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.