SCHEMBL23622938

SCHEMBL23622938

Nc1cnc(N2CCC3(CC2)CC3)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.35
PDE9A O76083 1/20 0.34
FFAR2 O15552 1/20 0.34
SCN10A Q9Y5Y9 3/20 0.34
PIK3CA P42336 3/20 0.33
MTOR P42345 3/20 0.33
CYP3A4 P08684 4/20 0.32
CYP2D6 P10635 4/20 0.32
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL23623071 0.87 PIK3CA (0.37) FFAR2SCN10APIK3CAMTOR
SCHEMBL19649847 0.83 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1HPGDHSD17B10CYP2C9
SCHEMBL29739691 0.81 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10CYP2C9CYP2C19
SCHEMBL29177180 0.81 ALDH1A1 (0.43) ALDH1A1HPGDHSD17B10CYP2C9CYP2C19
SCHEMBL24215209 0.81 MAP3K12 (0.39) FFAR2JAK2
SCHEMBL23623614 0.81 TRPV1 (0.38) KCNJ1PDE9AFFAR2SCN10APIK3CA
SCHEMBL23623618 0.81 SMN1; SMN2 (0.40) PDE9APIK3CAMTORSMN1; SMN2ALDH1A1
SCHEMBL1724026 0.79 KDM4E (0.51) PIK3CAMTORTSHRSMN1; SMN2ALDH1A1
SCHEMBL14070979 0.79 SMN1; SMN2 (0.50) TSHRSMN1; SMN2ALDH1A1MAPK1KMT2A
SCHEMBL18770210 0.79 POLB (0.47) SCN10ATSHRSMN1; SMN2ALDH1A1HPGD

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
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
US-20230127839-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-27 US disclosed
WO-2022015957-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2022-01-20 WO disclosed
WO-2021138434-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 KCNJ1 707/4885PDE9A 186/4885FFAR2 3521/4885

“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.