SCHEMBL5581820

SCHEMBL5581820

CNc1ncc2c(-c3cccc(Cl)c3)cc(-c3ccccc3)c(OC)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.43
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
NR1I3 Q14994 1/20 0.40
ADORA2A P29274 1/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MAP4K4 O95819 1/20 0.37
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37

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
SCHEMBL5581770 0.92 ADORA1 (0.40) ADORA1CSNK2A2CSNK2BCSNK2A1MAP4K4
SCHEMBL5582071 0.91 FYN (0.39) ADORA1CSNK2A2CSNK2BCSNK2A1ADORA2A
SCHEMBL5582212 0.90 CSNK2A1 (0.49) ADORA1CSNK2A2CSNK2BCSNK2A1MAP4K4
SCHEMBL5581601 0.90 MAP4K4 (0.36) ADORA1CSNK2A2CSNK2BCSNK2A1AURKA
SCHEMBL5581976 0.90 PDE4B (0.39) ADORA1CSNK2A2CSNK2BCSNK2A1MAP4K4
SCHEMBL5582028 0.89 SCN9A (0.40) ADORA1CSNK2A2CSNK2BCSNK2A1MAP4K4
SCHEMBL5581995 0.89 CSNK2A1 (0.50) ADORA1CSNK2A2CSNK2BCSNK2A1MAP4K4
SCHEMBL5581702 0.89 PTK2 (0.41) CSNK2A2CSNK2BCSNK2A1JAK2JAK1
SCHEMBL5582247 0.89 ADORA1 (0.39) ADORA1CSNK2A2CSNK2BCSNK2A1NR1I3
SCHEMBL5582163 0.88 PDE4B (0.42) ADORA1CSNK2A2CSNK2BCSNK2A1MAP4K4

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.