SCHEMBL31691548

SCHEMBL31691548

Clc1cc2nn(-c3ccccc3)c(Cl)c2cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.46
▸ LMNA P02545 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ CHEK1 O14757 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ CSNK1A1 P48729 1/20 0.38
▸ CDK8 P49336 1/20 0.38
▸ NEK2 P51955 1/20 0.38
▸ LIMK1 P53667 1/20 0.38
▸ CDK5 Q00535 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ CLK4 Q9HAZ1 1/20 0.38
▸ MPO P05164 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ SMN1; SMN2 Q16637 5/20 0.36
▸ GABRA1 P14867 2/20 0.36
▸ GABRG2 P18507 2/20 0.36
▸ GABRB3 P28472 2/20 0.36
▸ GABRA5 P31644 2/20 0.36

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
SCHEMBL17112241 0.84 CHEK1 (0.43) LMNAALDH1A1HTTCHEK1AURKA
SCHEMBL26632942 0.84 CA9 (0.43) LMNAALDH1A1HTTCHEK1AURKA
SCHEMBL26632940 0.84 LMNA (0.45) ESR2LMNAHTTATMSMN1; SMN2
SCHEMBL16498249 0.81 BCAT1 (0.42) ESR2LMNAALDH1A1HTTCHEK1
SCHEMBL31691544 0.80 KEAP1 (0.41) ESR2LMNAALDH1A1HTTCHEK1
SCHEMBL28792817 0.75 ESR2 (0.74) ESR2LMNAALDH1A1HTTMPO
SCHEMBL17112171 0.75 TDP2 (0.41) LMNAALDH1A1HTTCHEK1AURKA
SCHEMBL9910895 0.74 ESR2 (0.50) ESR2LMNAALDH1A1HTTCHEK1
SCHEMBL31738212 0.72 PLK1 (0.40) LMNAALDH1A1HTTATMSMN1; SMN2
SCHEMBL31670573 0.71 ESR2 (0.67) ESR2LMNAALDH1A1HTTCHEK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250304575-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS GALAPAGOS NV (BE) 2025-10-02 — — US 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-20250304575-A1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS SNCA, PSEN2, PSEN1 ESR2 1667/4885LMNA 336/4885ALDH1A1 1139/4885

“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.

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