SCHEMBL5582200

SCHEMBL5582200

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
STK4 Q13043 1/20 0.37
STK3 Q13188 1/20 0.37
DHFR P00374 1/20 0.36
NUDT1 P36639 1/20 0.36
EGFR P00533 1/20 0.35
FYN P06241 2/20 0.35
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
NR1I3 Q14994 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 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
SCHEMBL5581989 0.87 DHFR (0.51) TSHRMEN1KMT2ADHFRFYN
SCHEMBL5581717 0.84 TSHR (0.39) MAPTTSHRMEN1KMT2ADHFR
SCHEMBL5582132 0.84 CYP1A2 (0.43) ALDH1A1TSHRMEN1KMT2AKIT
SCHEMBL5582085 0.83 CSNK2A2 (0.38) TSHRMEN1KMT2ADHFRNUDT1
SCHEMBL5582022 0.83 ABCG2 (0.40) MAPTMEN1KMT2APDE4APDE4B
SCHEMBL5582173 0.83 MAPT (0.42) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL5581841 0.81 NPC1 (0.41) MAPTKDM4EALDH1A1HPGDMEN1
SCHEMBL5582167 0.81 KDM4E (0.41) MAPTKDM4EALDH1A1HPGDNUDT1
SCHEMBL5581720 0.81 MAPT (0.51) MAPTKDM4EALDH1A1HPGDTSHR
SCHEMBL5582140 0.81 ADORA1 (0.50) ADORA2AADORA1

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 MAPT 4096/4885KDM4E 1708/4885ALDH1A1 1519/4885

“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.