SCHEMBL5581702

SCHEMBL5581702

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.41
SCN9A Q15858 5/20 0.40
PTGS2 P35354 9/20 0.40
PTGS1 P23219 3/20 0.39
LRRK2 Q5S007 1/20 0.38
SCD O00767 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
FLT3 P36888 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36

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
SCHEMBL5582028 0.93 SCN9A (0.40) PTK2SCN9AJAK2JAK1TYK2
SCHEMBL5581967 0.92 CA1 (0.41) SCN9APTGS2PTGS1JAK2JAK1
SCHEMBL5581820 0.89 ADORA1 (0.43) SCN9AJAK2JAK1CSNK2A2CSNK2B
SCHEMBL5581770 0.87 ADORA1 (0.40) SCN9AJAK2JAK1CSNK2A2CSNK2B
SCHEMBL5582212 0.86 CSNK2A1 (0.49) PTK2LRRK2CSNK2A2CSNK2BCSNK2A1
SCHEMBL5741142 0.86 MAP4K4 (0.35) PTK2SCN9AJAK2JAK1TYK2
SCHEMBL5581601 0.86 MAP4K4 (0.36) SCN9AJAK2JAK1CSNK2A2CSNK2B
SCHEMBL5581976 0.86 PDE4B (0.39) SCN9ACSNK2A2CSNK2BCSNK2A1
SCHEMBL5582071 0.84 FYN (0.39) SCN9AJAK2JAK1CSNK2A2CSNK2B
SCHEMBL5582163 0.84 PDE4B (0.42) SCN9ACSNK2A2CSNK2BCSNK2A1

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 PTK2 4482/4885SCN9A 1396/4885PTGS2 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.