SCHEMBL4828459

SCHEMBL4828459

Nc1nc(-c2cccc3ccc(Br)cc23)co1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.38
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
CYP2A6 P11509 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
TYMS P04818 1/20 0.34
CSNK1A1 P48729 2/20 0.34
CSNK1D P48730 2/20 0.34
CSNK1E P49674 2/20 0.34
BACE1 P56817 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
ESR1 P03372 1/20 0.33
PLA2G1B P04054 1/20 0.33

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
SCHEMBL14381008 0.82 ENPP3 (0.35) ENPP3ENPP1ALOX5APFEN1MEN1
SCHEMBL4835226 0.81 ENPP1 (0.50) ENPP3ENPP1KDM4EMEN1ALDH1A1
SCHEMBL14065409 0.79 CA1 (0.40) ADORA2AALOX15PIM1
SCHEMBL4834484 0.78 BACE1 (0.39) ENPP3ENPP1ALOX5APFEN1TYMS
SCHEMBL4828417 0.78 PLAU (0.39) ALOX5APFEN1MEN1KMT2AFBP1
SCHEMBL6309424 0.75 GRM4 (0.35) ADORA2ACYP2A6TYMSBACE1KDM4E
SCHEMBL15916095 0.74 ALOX5AP (0.47) ADORA2AALOX5APFEN1PIK3R1PIK3CA
SCHEMBL4529132 0.73 CLK1 (0.40) CYP2A6TYMSCSNK1A1CSNK1DCSNK1E
SCHEMBL4539598 0.73 RAB9A (0.54) ADORA2AKDM4EMEN1ALDH1A1MAPT
SCHEMBL4530936 0.71 MGAM (0.49) KDM4EMEN1ALDH1A1MAPTKMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
US-7429607-B2 5-HT2B receptor antagonists ASTERAND UK LIMITED (GB) 2008-09-30 US disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
EP-1474140-B1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2007-11-21 EP disclosed
EP-1474140-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2004-11-10 EP disclosed
US-20040010022-A1 5-HT2B receptor antagonists ASTERAND, INC. 2004-01-15 US disclosed
WO-2003068226-A1 2-OXAZOLAMINES AND THEIR USE AS 5-HT2B RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2003-08-21 WO 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-20040010022-A1 5-HT2B receptor antagonists HTR2B, HTR1B, HTR2C ADORA2A 97/4885ENPP3 2000/4885ENPP1 2253/4885

“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.