SCHEMBL25319192

SCHEMBL25319192

Nc1ncc(-c2cccc(N3CCCC3)c2)s1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHFR P00374 11/20 0.44
CSNK2A1 P68400 1/20 0.42
AGXT P21549 1/20 0.42
PIK3CA P42336 1/20 0.41
PIK3C3 Q8NEB9 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR1A P08908 1/20 0.41
HTR7 P34969 1/20 0.41
CHEK1 O14757 2/20 0.41
MLYCD O95822 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
SCHEMBL29475557 1.00 DHFR (0.44) DHFRCSNK2A1AGXTPIK3CAPIK3C3
SCHEMBL25317369 0.85 CSNK2A1 (0.50) DHFRCSNK2A1PIK3CAPIK3C3KDM4E
SCHEMBL2560423 0.83 MLYCD (0.45) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL12601168 0.78 MAP4K4 (0.53) CSNK2A1KDM4EMEN1ALDH1A1GAA
SCHEMBL27084573 0.76 KDR (0.52) KDM4EMEN1ALDH1A1GAAHPGD
SCHEMBL29381973 0.75 HSD17B1 (0.45) DHFRKDM4EMEN1ALDH1A1GAA
SCHEMBL19031368 0.74 IDO1 (0.48) CSNK2A1MEN1KMT2A
SCHEMBL69900 0.74 CSNK2A1 (0.62) CSNK2A1KDM4EALDH1A1HTR7
SCHEMBL2554015 0.74 SMN1; SMN2 (0.48) CHEK1MLYCD
SCHEMBL12288909 0.74 MLYCD (0.43) CHEK1MLYCD

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 DHFR 4048/4885CSNK2A1 391/4885AGXT 3761/4885

“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.