SCHEMBL23625655

SCHEMBL23625655

COc1cc(N)cnc1N1CCC(F)(F)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WHR1 P49842 6/20 0.44
GAK O14976 1/20 0.43
SCN10A Q9Y5Y9 3/20 0.41
FFAR2 O15552 1/20 0.38
ALK Q9UM73 1/20 0.37
GCK P35557 1/20 0.37
PIK3CA P42336 1/20 0.37
MTOR P42345 1/20 0.37
MAP3K12 Q12852 1/20 0.37
OPRK1 P41145 1/20 0.36
EHMT2 Q96KQ7 1/20 0.35
EHMT1 Q9H9B1 1/20 0.35
PDE10A Q9Y233 1/20 0.35
ENPP1 P22413 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
SCHEMBL23623106 0.85 ENPP1 (0.40) GAKALKGCKMAP3K12OPRK1
SCHEMBL13027673 0.83 NOS1 (0.43) GAKGCKOPRK1ENPP1
SCHEMBL22803865 0.81 TRPV1 (0.42) SCN10AFFAR2PIK3CAMTORPDE10A
SCHEMBL20918773 0.81 ACHE (0.50) ALK
SCHEMBL30412557 0.81 TRPV1 (0.42) SCN10AFFAR2PIK3CAMTORPDE10A
SCHEMBL26499822 0.81 MAP3K12 (0.35) GAKALKGCKMAP3K12OPRK1
SCHEMBL15652664 0.79 PDE10A (0.51) GAKPIK3CAMTORPDE10A
SCHEMBL23623071 0.79 PIK3CA (0.37) SCN10AFFAR2PIK3CAMTOR
SCHEMBL23166934 0.78 SMN1; SMN2 (0.42) SCN10AGCKPIK3CAMTOR
SCHEMBL23612034 0.77 PIK3CA (0.44) SCN10AFFAR2PIK3CAMTOROPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
WO-2021138419-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC, (US) 2021-07-08 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-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 WHR1 535/4885GAK 1513/4885SCN10A 2166/4885

“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.