SCHEMBL22912862

SCHEMBL22912862

COc1ccc(Cn2nc(C(F)(F)F)c3ccc(Br)cc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
PDE5A O76074 1/20 0.41
MAPT P10636 2/20 0.40
PTGER4 P35408 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC2A1 P11166 1/20 0.40
SLC2A3 P11169 1/20 0.40
NPBWR1 P48145 1/20 0.39
MAPK8 P45983 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
SCHEMBL24409525 0.88 CNR1 (0.39) CNR1CNR2PDE5APTGER4PIK3R1
SCHEMBL22912886 0.84 CNR1 (0.44) CNR1CNR2PDE5AMAPTPTGER4
SCHEMBL22913399 0.83 SLC22A12 (0.49) MAPTPTGER4AKR1C3
SCHEMBL24484019 0.81 CNR1 (0.45) CNR1CNR2PDE5AMAPTPIK3R1
SCHEMBL16014218 0.81 CNR1 (0.45) CNR1CNR2PDE5AMAPTPIK3R1
SCHEMBL29670185 0.81 CNR1 (0.45) CNR1CNR2PDE5AMAPTPIK3R1
SCHEMBL5103746 0.81 CNR1 (0.44) CNR1CNR2PDE5AMAPTPTGER4
SCHEMBL29071996 0.80 PIK3R1 (0.46) PDE5AMAPTPIK3R1PIK3CAMEN1
SCHEMBL22912889 0.79 CNR1 (0.43) CNR1CNR2PDE5APTGER4PIK3R1
SCHEMBL24148851 0.78 CNR1 (0.45) CNR1CNR2MAPTPTGER4PIK3R1

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 CNR1 355/4885CNR2 496/4885PDE5A 1452/4885

“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.