SCHEMBL5582166

SCHEMBL5582166

COc1c(-c2ccc(C(=O)O)o2)cc(-c2cccc(Cl)c2)c2cnc(N(C)C)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
HPGD P15428 4/20 0.42
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.38
SLC9A1 P19634 1/20 0.37
KDM4E B2RXH2 2/20 0.37
PDE4B Q07343 3/20 0.36
CETP P11597 1/20 0.36
KCNH2 Q12809 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
S1PR4 O95977 2/20 0.35
MGAM O43451 2/20 0.35
GAA P10253 2/20 0.35
SI P14410 2/20 0.35
MGAM2 Q2M2H8 2/20 0.35
S1PR2 O95136 1/20 0.35
S1PR3 Q99500 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL5581841 0.85 NPC1 (0.41) ALDH1A1HPGDMAPTKDM4ECETP
SCHEMBL5581974 0.85 MAP4K4 (0.45) ALDH1A1HPGDMAPTKDM4EPDE4B
SCHEMBL5582081 0.84 CETP (0.38) ALDH1A1HPGDMAPTKDM4ECETP
SCHEMBL5581833 0.82 MAP4K4 (0.39) ALDH1A1HPGDMAPTKDM4ECETP
SCHEMBL5581694 0.82 ALDH1A1 (0.43) ALDH1A1HPGDMAPTKDM4ECETP
SCHEMBL5582167 0.80 KDM4E (0.41) ALDH1A1HPGDMAPTKDM4ECETP
SCHEMBL5582222 0.79 KDM4E (0.40) ALDH1A1HPGDMAPTKDM4ECETP
SCHEMBL5582259 0.79 ALDH1A1 (0.38) ALDH1A1HPGDMAPTKDM4ECETP
SCHEMBL5582263 0.79 ALDH1A1 (0.38) ALDH1A1HPGDMAPTKDM4ECETP
SCHEMBL5582200 0.78 MAPT (0.43) ALDH1A1HPGDMAPTKDM4EPDE4B

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 ALDH1A1 1519/4885HPGD 3416/4885MAPT 4096/4885

“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.