SCHEMBL5581967

SCHEMBL5581967

CNc1ncc2c(-c3cccc(Cl)c3)cc(-c3ccc(S(N)(=O)=O)cc3)c(OC)c2n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
PTGS2 P35354 7/20 0.41
PTGS1 P23219 4/20 0.41
SCN9A Q15858 5/20 0.39
CA9 Q16790 2/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ADORA1 P30542 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
CA12 O43570 1/20 0.37
FYN P06241 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
SCHEMBL5581702 0.92 PTK2 (0.41) PTGS2PTGS1SCN9AJAK2JAK1
SCHEMBL5582028 0.92 SCN9A (0.40) SCN9AADORA1JAK2JAK1TYK2
SCHEMBL5581820 0.88 ADORA1 (0.43) SCN9AADORA1JAK2JAK1
SCHEMBL5581770 0.87 ADORA1 (0.40) SCN9ACA9ADORA1JAK2JAK1
SCHEMBL5741142 0.85 MAP4K4 (0.35) SCN9AADORA1JAK2JAK1TYK2
SCHEMBL5582212 0.85 CSNK2A1 (0.49) ADORA1
SCHEMBL5581601 0.85 MAP4K4 (0.36) SCN9AADORA1JAK2JAK1FYN
SCHEMBL5581976 0.85 PDE4B (0.39) SCN9AADORA1FYN
SCHEMBL5581729 0.84 FYN (0.52) JAK2JAK1FYN
SCHEMBL5582071 0.84 FYN (0.39) SCN9ACA9ADORA1JAK2JAK1

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 2 patents. 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
EP-1726584-A1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-29 EP 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 CA1 4343/4885CA2 959/4885PTGS2 2985/4885

“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.