SCHEMBL22912945

SCHEMBL22912945

COc1ccc(Cn2ncc3c(Cl)cc(CC(=O)O)cc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 2/20 0.50
PDE1B Q01064 2/20 0.50
PDE1C Q14123 2/20 0.50
NPBWR1 P48145 10/20 0.49
MCHR1 Q99705 1/20 0.46
SLC22A12 Q96S37 4/20 0.45
PKM P14618 2/20 0.44
MEN1 O00255 1/20 0.44
RGS12 O14924 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
GNAI1 P63096 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
SCHEMBL22913774 0.89 PDE1A (0.50) PDE1APDE1BPDE1CNPBWR1SLC22A12
SCHEMBL29627519 0.81 ANO1 (0.44) MCHR1PKMMEN1ALDH1A1MAPT
SCHEMBL22913002 0.81 ANO1 (0.44) MCHR1PKMMEN1ALDH1A1MAPT
SCHEMBL22913090 0.80 NPBWR1 (0.51) PDE1APDE1BPDE1CNPBWR1MCHR1
SCHEMBL31073966 0.78 NPBWR1 (0.50) PDE1APDE1BPDE1CNPBWR1MCHR1
SCHEMBL22912879 0.77 SLC22A12 (0.67) SLC22A12PTGS1AKR1C3AKR1C2
SCHEMBL22912878 0.76 SLC22A12 (0.51) PDE1APDE1BPDE1CSLC22A12PTGS1
SCHEMBL22913399 0.74 SLC22A12 (0.49) SLC22A12MAPTPTGS1AKR1C3AKR1C2
SCHEMBL16014472 0.73 PDE1A (0.50) PDE1APDE1BPDE1CNPBWR1MCHR1
SCHEMBL22913540 0.73 BRD4 (0.44) NPBWR1MCHR1LMNACYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929683-B Pyridine derivatives as modulators of calcium activated chloride channels 跨膜蛋白16A有限公司 2024-09-03 CN disclosed
US-20220144803-A1 PYRIDINE DERIVATIVES AS CALCIUM-ACTIVATED CHLORIDE CHANNEL MODULATORS Enterprise Therapeutics Limited (GB) 2022-05-12 US disclosed
WO-2021014172-A1 PYRIDINE DERIVATIVES AS CALCIUM-ACTIVATED CHLORIDE CHANNEL MODULATORS Enterprise Therapeutics Limited (GB) 2021-01-28 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-20220144803-A1 PYRIDINE DERIVATIVES AS CALCIUM-ACTIVATED CHLORIDE CHANNEL MODULATORS TMEM109, CACNA1E, CACNA1A PDE1A 970/4885PDE1B 582/4885PDE1C 1131/4885

“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.