SCHEMBL24732829

SCHEMBL24732829

Nc1nc2ccccc2c2c1[nH]c(=O)n2Cc1ccc(CN2CCCC2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 12/20 0.48
TRAP1 Q12931 2/20 0.42
HSP90B1 P14625 1/20 0.42
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
TLR8 Q9NR97 2/20 0.39

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
SCHEMBL29809078 1.00 TLR7 (0.48) TLR7TRAP1HSP90B1SIGMAR1MEN1
SCHEMBL24732713 0.99 TLR7 (0.47) TLR7TRAP1HSP90B1SIGMAR1
SCHEMBL24732771 0.96 TLR7 (0.45) TLR7TRAP1HSP90B1SIGMAR1
SCHEMBL24732879 0.93 TLR7 (0.48) TLR7TRAP1HSP90B1MEN1ALDH1A1
SCHEMBL29809592 0.93 TLR7 (0.48) TLR7TRAP1HSP90B1MEN1ALDH1A1
SCHEMBL29809462 0.90 TLR7 (0.56) TLR7MEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL24732756 0.90 TLR7 (0.56) TLR7MEN1ALDH1A1CYP1A2CYP2D6
SCHEMBL29809218 0.89 TLR7 (0.50) TLR7
SCHEMBL24732938 0.89 TLR7 (0.50) TLR7
SCHEMBL24732780 0.89 TLR7 (0.49) TLR7MEN1ALDH1A1CYP1A2CYP2D6

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-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF INNOVSTONE THERAPEUTICS LIMITED (CN) 2024-05-09 US disclosed
CN-114805341-B Aromatic heterocyclic compound, and preparation method and application thereof 上海翊石医药科技有限公司 2023-12-08 CN disclosed
WO-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 WO disclosed
CN-114805341-A Aromatic heterocyclic compounds and preparation method and application thereof 上海翊石医药科技有限公司 2022-07-29 CN 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-20240150346-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF TLR7, TLR1, TLR8 TLR7 1/4885TRAP1 2117/4885HSP90B1 1884/4885

“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.