SCHEMBL5581601

SCHEMBL5581601

CNc1ncc2c(-c3cccc(Cl)c3)cc(-c3ccc(SC)cc3)c(OC)c2n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
ADORA1 P30542 6/20 0.35
KMT2A Q03164 2/20 0.34
FYN P06241 2/20 0.34
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
SCN9A Q15858 1/20 0.34
GSK3B P49841 1/20 0.33
AURKA O14965 1/20 0.33
AURKB Q96GD4 1/20 0.33
SIK2 Q9H0K1 1/20 0.33
CFTR P13569 1/20 0.32
MEN1 O00255 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL5581820 0.90 ADORA1 (0.43) MAP4K4CSNK2A2CSNK2BCSNK2A1ADORA1
SCHEMBL5581770 0.88 ADORA1 (0.40) MAP4K4CSNK2A2CSNK2BCSNK2A1ADORA1
SCHEMBL5581976 0.86 PDE4B (0.39) MAP4K4CSNK2A2CSNK2BCSNK2A1ADORA1
SCHEMBL5582028 0.86 SCN9A (0.40) MAP4K4CSNK2A2CSNK2BCSNK2A1ADORA1
SCHEMBL5581702 0.86 PTK2 (0.41) CSNK2A2CSNK2BCSNK2A1JAK2JAK1
SCHEMBL5582071 0.85 FYN (0.39) MAP4K4CSNK2A2CSNK2BCSNK2A1ADORA1
SCHEMBL5741142 0.85 MAP4K4 (0.35) MAP4K4CSNK2A2CSNK2BCSNK2A1ADORA1
SCHEMBL5582212 0.85 CSNK2A1 (0.49) MAP4K4CSNK2A2CSNK2BCSNK2A1ADORA1
SCHEMBL5582163 0.85 PDE4B (0.42) MAP4K4CSNK2A2CSNK2BCSNK2A1ADORA1
SCHEMBL5581967 0.85 CA1 (0.41) ADORA1FYNJAK2JAK1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225308-A1 2-Amino Quinazoline Derivative KYOWA HAKKO KOGYO CO.,LTD. (JP) 2007-09-27 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 (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-20070225308-A1 2-Amino Quinazoline Derivative AGTR2, ABL1, AGTR1 MAP4K4 1461/4885CSNK2A2 467/4885CSNK2B 662/4885

“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.