SCHEMBL5581883

SCHEMBL5581883

CNc1ncc2c(-c3cccc(Cl)c3)cc(CO)c(OC)c2n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.41
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
NUDT1 P36639 1/20 0.38
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
SCN9A Q15858 4/20 0.37
LTB4R Q15722 1/20 0.36
NR1I3 Q14994 1/20 0.35
MAP4K4 O95819 1/20 0.35
FYN P06241 1/20 0.35
PDE5A O76074 1/20 0.35
CNR2 P34972 1/20 0.35
DHPS P49366 1/20 0.35
DGAT2 Q96PD7 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
SCHEMBL5581976 0.87 PDE4B (0.39) ADORA1CSNK2A2CSNK2BCSNK2A1NUDT1
SCHEMBL5581661 0.87 ADORA1 (0.44) ADORA1CSNK2A2CSNK2BCSNK2A1SCN9A
SCHEMBL5581799 0.86 FYN (0.41) ADORA1CSNK2A2CSNK2BCSNK2A1NUDT1
SCHEMBL5581820 0.86 ADORA1 (0.43) ADORA1CSNK2A2CSNK2BCSNK2A1NUDT1
SCHEMBL5582144 0.85 LTB4R (0.45) ADORA1CSNK2A2CSNK2BCSNK2A1SCN9A
SCHEMBL5581566 0.85 ADORA1 (0.41) ADORA1CSNK2A2CSNK2BCSNK2A1SCN9A
SCHEMBL5581770 0.85 ADORA1 (0.40) ADORA1CSNK2A2CSNK2BCSNK2A1JAK2
SCHEMBL5582085 0.84 CSNK2A2 (0.38) ADORA1CSNK2A2CSNK2BCSNK2A1NUDT1
SCHEMBL5581896 0.84 SLC6A9 (0.42) ADORA1CSNK2A2CSNK2BCSNK2A1NUDT1
SCHEMBL5582125 0.84 ADORA1 (0.38) ADORA1CSNK2A2CSNK2BCSNK2A1NUDT1

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.