SCHEMBL25318136

SCHEMBL25318136

Nc1ncc(-c2ccc(C(F)(F)F)cc2)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.54
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KIF11 P52732 4/20 0.47
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
MYC P01106 1/20 0.42
WDR5 P61964 1/20 0.42
LTA4H P09960 1/20 0.42
FEN1 P39748 5/20 0.42
ALOX5AP P20292 4/20 0.42
AKT1 P31749 2/20 0.41
CDK2 P24941 1/20 0.41
CLK1 P49759 1/20 0.41
EPHX2 P34913 1/20 0.40

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
SCHEMBL40156 0.85 ADORA2A (0.49) CSNK2A1NPC1ALDH1A1MAPTRAB9A
SCHEMBL13191551 0.81 HSD17B1 (0.46) KIF11HDAC1HDAC6MKNK1MKNK2
SCHEMBL30279827 0.80 HSD17B1 (0.49) KIF11HDAC1HDAC6AKT1CDK2
SCHEMBL4831643 0.79 CSNK2A1 (0.59) CSNK2A1NPC1ALDH1A1MAPTRAB9A
SCHEMBL12091997 0.79 CSNK2A1 (0.62) CSNK2A1NPC1ALDH1A1MAPTRAB9A
SCHEMBL4513898 0.79 AOC3 (0.45) NPC1ALDH1A1KIF11HDAC1HDAC6
SCHEMBL22684975 0.78 NPC1 (0.57) CSNK2A1NPC1ALDH1A1MAPTRAB9A
SCHEMBL5960025 0.77 CSNK2A1 (0.56) CSNK2A1NPC1ALDH1A1MAPTRAB9A
SCHEMBL4875273 0.77 MPL (0.58) CSNK2A1NPC1ALDH1A1MAPTRAB9A
SCHEMBL3500308 0.76 CSNK2A1 (0.59) CSNK2A1NPC1ALDH1A1MAPTRAB9A

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-20240043395-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. 2024-02-08 US disclosed
EP-4217342-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING Neuropore Therapies, Inc. (US) 2023-08-02 EP disclosed
CN-116507607-A Compounds and compositions as modulators of TLR signaling 神经孔疗法股份有限公司 2023-07-28 CN disclosed
WO-2022067114-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING NEUROPORE THERAPIES, INC. (US) 2022-03-31 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-20240043395-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF TLR SIGNALING TLR3, TLR6, TLR4 CSNK2A1 391/4885NPC1 652/4885ALDH1A1 4634/4885

“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.