SCHEMBL22721908

SCHEMBL22721908

O=c1c2ccccc2c(Br)nn1C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.44
PDE4A P27815 3/20 0.44
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
ADRA1A P35348 4/20 0.44
HRH1 P35367 4/20 0.44
ADRA1B P35368 4/20 0.44
ADRA2A P08913 2/20 0.44
CHRM1 P11229 2/20 0.44
ADRA2B P18089 2/20 0.44
HTR2A P28223 2/20 0.44
DRD3 P35462 2/20 0.44
HRH3 Q9Y5N1 2/20 0.44
CHRM2 P08172 1/20 0.44
ADRB1 P08588 1/20 0.44
CYP2D6 P10635 1/20 0.44
GABRA1 P14867 1/20 0.44

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
SCHEMBL30880199 1.00 ABCB1 (0.44) ABCB1PDE4APDE4BPDE4CPDE4D
SCHEMBL22721654 0.98 PDE4A (0.46) ABCB1PDE4APDE4BPDE4CPDE4D
SCHEMBL22721898 0.97 ABCB1 (0.47) ABCB1PDE4APDE4BPDE4CPDE4D
SCHEMBL30880189 0.97 ABCB1 (0.47) ABCB1PDE4APDE4BPDE4CPDE4D
SCHEMBL28679913 0.84 ADRA1A (0.38) ABCB1PDE4APDE4BPDE4CPDE4D
SCHEMBL4066548 0.83 ADRA1A (0.40) ABCB1PDE4APDE4BPDE4CPDE4D
SCHEMBL4066550 0.83 ADRA1A (0.40) ABCB1PDE4APDE4BPDE4CPDE4D
SCHEMBL5141079 0.80 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL17018057 0.79 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL14966141 0.75 ALDH1A1 (0.43) ABCB1PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113840820-B Phthalazinone compounds and uses thereof ST制药株式会社 2024-05-03 CN disclosed
US-20220235011-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF ST PHARM CO., LTD. (KR) 2022-07-28 US disclosed
EP-3978480-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF ST Pharm Co., Ltd. (KR) 2022-04-06 EP disclosed
CN-113840820-A Phthalazinone compounds and uses thereof ST制药株式会社 2021-12-24 CN disclosed
WO-2020242245-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF 에스티팜 주식회사 2020-12-03 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-20220235011-A1 PHTHALAZINONE COMPOUNDS AND USE THEREOF SIRT6, SIRT1, SIRT2 ABCB1 2918/4885PDE4A 2783/4885PDE4B 3178/4885

“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.