SCHEMBL23612042

SCHEMBL23612042

O=C(O)Nc1cc(Cl)c(C2CCC(F)(F)CC2)cn1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.38
DYRK1A Q13627 5/20 0.38
WNT1 P04628 4/20 0.38
LRRK2 Q5S007 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
ABL1 P00519 4/20 0.35
GCK P35557 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
MAP4K1 Q92918 1/20 0.35
P2RX7 Q99572 1/20 0.35
KCNJ6 P48051 1/20 0.35
KCNJ5 P48544 1/20 0.35
KCNJ3 P48549 1/20 0.35
CNR1 P21554 1/20 0.34
HSD17B13 Q7Z5P4 1/20 0.34
MAPT P10636 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
SCHEMBL31627754 0.89 LRRK2 (0.40) LRRK2ABL1GCKMAP4K1
SCHEMBL23612223 0.85 CNR2 (0.32) GSK3BDYRK1AWNT1LRRK2
SCHEMBL29988807 0.82 GSK3B (0.40) GSK3BDYRK1AWNT1LRRK2ABL1
SCHEMBL23612124 0.82 GSK3B (0.40) GSK3BDYRK1AWNT1LRRK2ABL1
SCHEMBL23612070 0.81 CNR2 (0.38) KDM1AMAOBCNR1
SCHEMBL29989008 0.81 CNR2 (0.38) KDM1AMAOBCNR1
SCHEMBL23612044 0.81 GCK (0.45) GSK3BDYRK1AWNT1GCK
SCHEMBL30089383 0.77 TSHR (0.38) GSK3BDYRK1AWNT1LRRK2GCK
SCHEMBL23612235 0.77 TSHR (0.38) GSK3BDYRK1AWNT1LRRK2GCK
SCHEMBL23612025 0.77 CNR2 (0.38) KDM1AMAOBP2RX7CNR1

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-20230115274-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-04-13 US disclosed
EP-4085061-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-11-09 EP 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 (2 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 GSK3B 487/4885DYRK1A 4056/4885WNT1 1022/4885
US-20230115274-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 GSK3B 487/4885DYRK1A 4056/4885WNT1 1022/4885

“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.