SCHEMBL17777964

SCHEMBL17777964

COc1ccc(Cn2nc(C(F)(F)F)c(C(C)(C)C#N)c2Br)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.36
SLC2A1 P11166 2/20 0.36
SLC2A3 P11169 2/20 0.36
SLC2A4 P14672 2/20 0.36
SLC2A2 P11168 1/20 0.36
PDE8B O95263 1/20 0.36
GAA P10253 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
AKR1C3 P42330 1/20 0.34
CCR1 P32246 1/20 0.34

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
SCHEMBL19702817 0.85 CYP1A2 (0.41) NPBWR1SMN1; SMN2PDE8BCNR1CNR2
SCHEMBL17777911 0.82 NPBWR1 (0.38) NPBWR1PDE8BGRIN1GRIN2BCNR1
SCHEMBL17777906 0.81 MET (0.41) SMN1; SMN2GAA
SCHEMBL17777767 0.80 KDM4E (0.38) NPBWR1PDE8BCNR1CNR2
SCHEMBL13748686 0.76 NPBWR1 (0.42) NPBWR1SMN1; SMN2SLC2A1SLC2A3SLC2A4
SCHEMBL17777970 0.74 MET (0.41) SMN1; SMN2GAAGRIN1GRIN2B
SCHEMBL19659814 0.72 KDM4E (0.38) SMN1; SMN2PDE8BGAACNR2PDE1A
SCHEMBL13755154 0.71 NPBWR1 (0.44) NPBWR1SMN1; SMN2SLC2A1SLC2A3SLC2A4
SCHEMBL15348694 0.70 CNR1 (0.46) NPBWR1SMN1; SMN2GRIN1GRIN2BCNR1
SCHEMBL22912862 0.70 CNR1 (0.43) NPBWR1SMN1; SMN2SLC2A1SLC2A3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183247-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS LTD (GB) 2023-06-15 US disclosed
EP-3221321-B1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS LTD (GB) 2021-12-15 EP disclosed
EP-3715348-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE Akarna Therapeutics, Ltd. (GB) 2020-09-30 EP disclosed
WO-2017205684-A1 COMBINATION THERAPIES WITH FARNESOID X RECEPTOR (FXR) MODULATORS AKARNA THERAPEUTICS, LTD. (GB) 2017-11-30 WO disclosed
WO-2016151403-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS, LTD. (GB) 2016-09-29 WO disclosed
WO-2016081918-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE AKARNA THERAPEUTICS, LTD. (GB) 2016-05-26 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-20230183247-A1 FUSED BICYCLIC COMPOUNDS FOR THE TREATMENT OF DISEASE VHL, BRDT, PAICS NPBWR1 4315/4885SMN1; SMN2 61/4885SLC2A1 3788/4885

“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.