SCHEMBL5582009

SCHEMBL5582009

CCNc1ncc2c(-c3cccc(Cl)c3)cc(Br)c(OC)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.41
CSNK2A2 P19784 2/20 0.41
CSNK2B P67870 2/20 0.41
CSNK2A1 P68400 1/20 0.41
MAP4K4 O95819 1/20 0.40
PGK1 P00558 1/20 0.39
ADORA2A P29274 1/20 0.39
PDE5A O76074 1/20 0.37
SCN9A Q15858 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
PDE4B Q07343 1/20 0.36
LIMK1 P53667 1/20 0.36
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HIF1A Q16665 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL5582126 0.89 PDE5A (0.43) ADORA1PDE5AMEN1KMT2ATSHR
SCHEMBL5582085 0.89 CSNK2A2 (0.38) ADORA1CSNK2A2CSNK2BCSNK2A1MAP4K4
SCHEMBL5582246 0.88 STK4 (0.43) ADORA1MAT2A
SCHEMBL5581817 0.86 CSNK2A2 (0.41) ADORA1CSNK2A2CSNK2BCSNK2A1SCN9A
SCHEMBL5582140 0.84 ADORA1 (0.50) ADORA1CSNK2A2CSNK2BCSNK2A1MAP4K4
SCHEMBL5582020 0.82 ADORA1 (0.40) ADORA1CSNK2A2CSNK2BCSNK2A1MAP4K4
SCHEMBL5581717 0.82 TSHR (0.39) ADORA1ADORA2APDE5AMEN1KMT2A
SCHEMBL5581989 0.82 DHFR (0.51) ADORA1MAP4K4ADORA2AMEN1KMT2A
SCHEMBL5582205 0.81 CSNK2A2 (0.52) ADORA1CSNK2A2CSNK2BCSNK2A1MAP4K4
SCHEMBL5582200 0.80 MAPT (0.43) ADORA1ADORA2AMEN1KMT2ATSHR

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 ADORA1 406/4885CSNK2A2 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.