SCHEMBL22913090

SCHEMBL22913090

COc1ccc(Cn2ncc3c(Cl)cc(Br)cc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 12/20 0.51
PDE1B Q01064 4/20 0.49
PDE1A P54750 2/20 0.49
PDE1C Q14123 2/20 0.49
MCHR1 Q99705 1/20 0.47
PKM P14618 1/20 0.45
PKLR P30613 1/20 0.45
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DCTPP1 Q9H773 1/20 0.41

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
SCHEMBL22912921 0.87 PDE1B (0.49) NPBWR1PDE1BPDE1APDE1CMCHR1
SCHEMBL31073966 0.81 NPBWR1 (0.50) NPBWR1PDE1BPDE1APDE1CMCHR1
SCHEMBL22912945 0.80 PDE1A (0.50) NPBWR1PDE1BPDE1APDE1CMCHR1
SCHEMBL20176607 0.80 PDE1A (0.49) NPBWR1PDE1BPDE1APDE1CMCHR1
SCHEMBL5091051 0.79 BRD4 (0.53) NPBWR1PDE1BPDE1APDE1CMCHR1
SCHEMBL29433484 0.79 BRD4 (0.53) NPBWR1PDE1BPDE1APDE1CMCHR1
SCHEMBL30959673 0.79 NPBWR1 (0.49) NPBWR1PDE1BPDE1APDE1CMCHR1
SCHEMBL23210996 0.78 GRIN1 (0.58) NPBWR1PDE1BGRIN1GRIN2B
SCHEMBL16014472 0.78 PDE1A (0.50) NPBWR1PDE1BPDE1APDE1CMCHR1
SCHEMBL22139429 0.77 NPBWR1 (0.48) NPBWR1PDE1BPDE1APDE1CMCHR1

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 4 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
EP-4003977-A1 PYRIDINE DERIVATIVES AS CALCIUM-ACTIVATED CHLORIDE CHANNEL MODULATORS TMEM16A LIMITED (GB) 2022-06-01 EP 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 NPBWR1 989/4885PDE1B 582/4885PDE1A 970/4885

“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.