SCHEMBL5581833

SCHEMBL5581833

COc1c(-c2ccc(C(=O)O)cn2)cc(-c2cccc(Cl)c2)c2cnc(N(C)C)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.39
CETP P11597 2/20 0.39
KCNH2 Q12809 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
LDHA P00338 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 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
SCHEMBL5581974 0.90 MAP4K4 (0.45) MAP4K4CETPKCNH2PDE4APDE4C
SCHEMBL5581841 0.89 NPC1 (0.41) MAP4K4CETPKCNH2PDE4APDE4C
SCHEMBL5581541 0.86 CSNK2A1 (0.47) MAP4K4PDE4APDE4CPDE4DLDHA
SCHEMBL5582081 0.84 CETP (0.38) MAP4K4CETPKCNH2PDE4APDE4C
SCHEMBL5582166 0.82 ALDH1A1 (0.42) CETPKCNH2KDM4EALDH1A1MAPT
SCHEMBL5581694 0.82 ALDH1A1 (0.43) CETPKCNH2KDM4EALDH1A1MAPT
SCHEMBL5582167 0.80 KDM4E (0.41) CETPKCNH2KDM4EALDH1A1MAPT
SCHEMBL5582238 0.79 MAP4K4 (0.52) MAP4K4PDE4APDE4CPDE4DTUBB4A
SCHEMBL5582259 0.79 ALDH1A1 (0.38) CETPKCNH2KDM4EALDH1A1MAPT
SCHEMBL5582263 0.79 ALDH1A1 (0.38) CETPKCNH2KDM4EALDH1A1MAPT

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 MAP4K4 1461/4885CETP 4708/4885KCNH2 263/4885

“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.