SCHEMBL5582316

SCHEMBL5582316

CNc1ncc2c(-c3cncc(C#N)c3)cc(-c3ccc(C(=O)O)cc3)c(OC)c2n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.42
PTPN11 Q06124 1/20 0.39
MAP4K4 O95819 2/20 0.38
CSNK2A1 P68400 5/20 0.37
POLQ O75417 1/20 0.36
CHEK1 O14757 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
XDH P47989 2/20 0.34
PIK3CG P48736 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CTPS1 P17812 1/20 0.34
NEK2 P51955 1/20 0.34

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
SCHEMBL5582314 0.90 PDE4A (0.43) SLC22A12PTPN11MAP4K4CSNK2A1CSNK2A2
SCHEMBL5581713 0.86 CSNK2A1 (0.42) MAP4K4CSNK2A1CHEK1TBK1CSNK2A2
SCHEMBL5582036 0.85 PTPN11 (0.43) PTPN11MAP4K4CSNK2A1CHEK1TBK1
SCHEMBL5582330 0.85 CSNK2A1 (0.48) MAP4K4CSNK2A1TBK1CSNK2A2CSNK2B
SCHEMBL5582062 0.84 MKNK1 (0.44) CSNK2A1CSNK2A2CSNK2B
SCHEMBL5582010 0.83 CSNK2A2 (0.47) MAP4K4CSNK2A1TBK1CSNK2A2CSNK2B
SCHEMBL5582255 0.82 CSNK2A1 (0.43) MAP4K4CSNK2A1TBK1CSNK2A2CSNK2B
SCHEMBL5582325 0.81 KMO (0.43) MAP4K4CSNK2A1TBK1CSNK2A2CSNK2B
SCHEMBL5581557 0.80 POLQ (0.35) MAP4K4POLQLRRK2
SCHEMBL5582267 0.79 CSNK2A1 (0.46) MAP4K4CSNK2A1CSNK2A2CSNK2BLRRK2

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 SLC22A12 917/4885PTPN11 542/4885MAP4K4 1461/4885

“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.