SCHEMBL5582259

SCHEMBL5582259

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 1/20 0.38
ADORA1 P30542 1/20 0.36
LTB4R Q15722 1/20 0.36
LMNA P02545 1/20 0.36
CETP P11597 1/20 0.35
KCNH2 Q12809 1/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
SLC6A9 P48067 1/20 0.35
GAA P10253 2/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GRIN2B Q13224 2/20 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
SCHEMBL5582263 1.00 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTHPGDADORA1
SCHEMBL5582261 0.90 CCNC (0.42) ALDH1A1KDM4EMAPTHPGDADORA1
SCHEMBL5582264 0.90 CCNC (0.42) ALDH1A1KDM4EMAPTHPGDADORA1
SCHEMBL5581757 0.89 ADORA1 (0.43) ADORA1LTB4RLMNAPTGER1PTGER4
SCHEMBL5581762 0.89 ADORA1 (0.43) ADORA1LTB4RLMNAPTGER1PTGER4
SCHEMBL5582044 0.87 CYP1A2 (0.41) ALDH1A1LMNAMEN1KMT2ACTSA
SCHEMBL5582046 0.87 CYP1A2 (0.41) ALDH1A1LMNAMEN1KMT2ACTSA
SCHEMBL5581783 0.85 ADORA1 (0.42) ADORA1LTB4RLMNAPTGER1PTGER4
SCHEMBL5581781 0.85 ADORA1 (0.42) ADORA1LTB4RLMNAPTGER1PTGER4
SCHEMBL5582167 0.83 KDM4E (0.41) ALDH1A1KDM4EMAPTHPGDADORA1

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 1519/4885KDM4E 1708/4885MAPT 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.