SCHEMBL5581896

SCHEMBL5581896

CNc1ncc2c(-c3cccc(Cl)c3)cc(CN(C)CC(=O)O)c(OC)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 3/20 0.42
ADORA1 P30542 4/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CD274 Q9NZQ7 4/20 0.38
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CTSA P10619 2/20 0.35
PDCD1 Q15116 1/20 0.35
LTB4R Q15722 1/20 0.35
NUDT1 P36639 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 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
SCHEMBL5581661 0.86 ADORA1 (0.44) ADORA1CSNK2A2CSNK2BCSNK2A1CTSA
SCHEMBL5581566 0.84 ADORA1 (0.41) ADORA1CSNK2A2CSNK2BCSNK2A1CD274
SCHEMBL5581883 0.84 ADORA1 (0.41) ADORA1CSNK2A2CSNK2BCSNK2A1LTB4R
SCHEMBL5582144 0.83 LTB4R (0.45) ADORA1CSNK2A2CSNK2BCSNK2A1CTSA
SCHEMBL5582129 0.81 ADORA1 (0.43) ADORA1CSNK2A2CSNK2BCSNK2A1PPARG
SCHEMBL5581732 0.80 ADORA1 (0.42) ADORA1CSNK2A2CSNK2BCSNK2A1CTSA
SCHEMBL5581783 0.79 ADORA1 (0.42) ADORA1CSNK2A2CSNK2BCSNK2A1CTSA
SCHEMBL5581781 0.79 ADORA1 (0.42) ADORA1CSNK2A2CSNK2BCSNK2A1CTSA
SCHEMBL5581820 0.79 ADORA1 (0.43) ADORA1CSNK2A2CSNK2BCSNK2A1NUDT1
SCHEMBL5581799 0.79 FYN (0.41) 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 SLC6A9 179/4885ADORA1 406/4885CSNK2A2 467/4885

“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.