SCHEMBL5582222

SCHEMBL5582222

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
FFAR1 O14842 5/20 0.39
ADORA1 P30542 1/20 0.38
LTB4R Q15722 1/20 0.38
RXRA P19793 3/20 0.38
RXRB P28702 3/20 0.38
RXRG P48443 3/20 0.38
NR4A2 P43354 1/20 0.38
SLC6A9 P48067 1/20 0.37
PTGER1 P34995 3/20 0.36
PTGER4 P35408 3/20 0.36
PTGER3 P43115 3/20 0.36
PTGER2 P43116 3/20 0.36
CTSA P10619 2/20 0.35
CETP P11597 1/20 0.35
KCNH2 Q12809 1/20 0.35
PTGES O14684 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
SCHEMBL5582167 0.91 KDM4E (0.41) KDM4EALDH1A1MAPTHPGDFFAR1
SCHEMBL5581874 0.89 ADORA1 (0.43) FFAR1ADORA1LTB4RRXRARXRB
SCHEMBL5581661 0.85 ADORA1 (0.44) FFAR1ADORA1LTB4RRXRARXRB
SCHEMBL5582173 0.83 MAPT (0.42) KDM4EALDH1A1MAPTHPGDLTB4R
SCHEMBL5582259 0.82 ALDH1A1 (0.38) KDM4EALDH1A1MAPTHPGDADORA1
SCHEMBL5582263 0.82 ALDH1A1 (0.38) KDM4EALDH1A1MAPTHPGDADORA1
SCHEMBL5581766 0.82 KDM4E (0.40) KDM4EALDH1A1MAPTHPGDADORA1
SCHEMBL5581841 0.81 NPC1 (0.41) KDM4EALDH1A1MAPTHPGDLTB4R
SCHEMBL5581974 0.81 MAP4K4 (0.45) KDM4EALDH1A1MAPTHPGDADORA1
SCHEMBL5582081 0.80 CETP (0.38) KDM4EALDH1A1MAPTHPGDADORA1

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 KDM4E 1708/4885ALDH1A1 1519/4885MAPT 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.