SCHEMBL29601458

SCHEMBL29601458

C[C@@H]1CN(Cc2sc(Nc3cc(C(=O)NCC(F)(F)F)ccn3)nc2-c2ccccn2)C[C@H](C)O1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHEK1 O14757 2/20 0.39
CDK7 P50613 2/20 0.39
GABRA5 P31644 3/20 0.38
TGFBR1 P36897 2/20 0.36
TGFBR2 P37173 1/20 0.36
KCNH2 Q12809 1/20 0.35
AR P10275 1/20 0.35
MAPT P10636 1/20 0.34
GSK3B P49841 1/20 0.34
NAMPT P43490 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MTOR P42345 1/20 0.34
ATM Q13315 1/20 0.34
ULK1 O75385 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL24358123 1.00 SCN9A (0.40) SCN9AL3MBTL1CHEK1CDK7GABRA5
SCHEMBL24358115 1.00 SCN9A (0.40) SCN9AL3MBTL1CHEK1CDK7GABRA5
SCHEMBL30745671 0.84 TRPV1 (0.40) SCN9A
SCHEMBL24358207 0.84 TRPV1 (0.40) SCN9A
SCHEMBL30745668 0.83 GABRA5 (0.42) CHEK1CDK7GABRA5TGFBR1KCNH2
SCHEMBL24358184 0.83 GABRA5 (0.42) CHEK1CDK7GABRA5TGFBR1KCNH2
SCHEMBL29601197 0.83 CHEK1 (0.42) CHEK1CDK7GABRA5TGFBR1AR
SCHEMBL24358064 0.81 GABRA5 (0.45) CHEK1CDK7GABRA5TGFBR1LMNA
SCHEMBL29601482 0.81 GABRA5 (0.45) CHEK1CDK7GABRA5TGFBR1LMNA
SCHEMBL24357959 0.75 MAP3K12 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION 2024-01-25 US disclosed
EP-4232449-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-08-30 EP disclosed
WO-2022087326-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-04-28 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-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CYP8B1, PAH, INHA SCN9A 1830/4885L3MBTL1 2235/4885CHEK1 4707/4885

“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.