SCHEMBL5581841

SCHEMBL5581841

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CETP P11597 2/20 0.41
KCNH2 Q12809 2/20 0.41
PTK2 Q05397 1/20 0.40
MAP4K4 O95819 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
EIF4EBP1 Q13541 3/20 0.38
PTGER1 P34995 4/20 0.37
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 1/20 0.37
LTB4R Q15722 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4C Q08493 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
SCHEMBL5581974 0.94 MAP4K4 (0.45) CETPKCNH2MAP4K4KDM4EALDH1A1
SCHEMBL5581833 0.89 MAP4K4 (0.39) CETPKCNH2MAP4K4KDM4EALDH1A1
SCHEMBL5582081 0.89 CETP (0.38) CETPKCNH2MAP4K4KDM4EALDH1A1
SCHEMBL5582166 0.85 ALDH1A1 (0.42) NPC1CETPKCNH2KDM4EALDH1A1
SCHEMBL5581995 0.85 CSNK2A1 (0.50) NPC1RAB9AL3MBTL1PTK2MAP4K4
SCHEMBL5581694 0.85 ALDH1A1 (0.43) NPC1RAB9ACETPKCNH2KDM4E
SCHEMBL5581741 0.83 EIF4EBP1 (0.39) PTK2EIF4EBP1PTGER1CYP2C9CYP3A4
SCHEMBL5582167 0.83 KDM4E (0.41) NPC1RAB9ACETPKCNH2KDM4E
SCHEMBL5582238 0.82 MAP4K4 (0.52) MAP4K4PDE4APDE4CPDE4DTUBB4A
SCHEMBL5582259 0.81 ALDH1A1 (0.38) NPC1RAB9ACETPKCNH2KDM4E

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 NPC1 1790/4885RAB9A 324/4885L3MBTL1 1507/4885

“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.