SCHEMBL5582300

SCHEMBL5582300

CCOC(=O)/C=C/c1cc(-c2cccc([N+](=O)[O-])c2)c2cnc(N)nc2c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MAPT P10636 4/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42
HSP90AA1 P07900 1/20 0.42
PKM P14618 1/20 0.42
CCR6 P51684 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
RAB9A P51151 2/20 0.40
EGFR P00533 3/20 0.40
ERBB2 P04626 2/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
LMNA P02545 1/20 0.39
NTSR1 P30989 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5582301 1.00 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1HPGDMEN1
SCHEMBL5582131 0.90 MAPT (0.43) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL5582128 0.90 MAPT (0.43) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL5582142 0.86 CCNC (0.42) ALDH1A1MAPTCCNCCDK8CYP1A2
SCHEMBL5582145 0.86 CCNC (0.42) ALDH1A1MAPTCCNCCDK8CYP1A2
SCHEMBL5582130 0.79 POLB (0.41) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL5581752 0.77 PDE4A (0.45) ALDH1A1MAPTMAPK1MEN1KMT2A
SCHEMBL5582264 0.77 CCNC (0.42) ALDH1A1MAPTHPGDCCNCCDK8
SCHEMBL5582261 0.77 CCNC (0.42) ALDH1A1MAPTHPGDCCNCCDK8
SCHEMBL5581762 0.76 ADORA1 (0.43) LMNATUBB4ATUBBTUBA3CTUBA1B

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 1519/4885MAPT 4096/4885MAPK1 1147/4885

“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.