SCHEMBL29601176

SCHEMBL29601176

C[C@@H]1CN(Cc2sc(Nc3cc(C(F)(F)F)ccn3)nc2-c2ccccn2)C[C@H](C)N1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 12/20 0.39
SYK P43405 3/20 0.37
KARS1 Q15046 2/20 0.37
IDH2 P48735 1/20 0.35
ERN1 O75460 1/20 0.35
KCNN1 Q92952 1/20 0.35
KCNN2 Q9H2S1 1/20 0.35
KCNN3 Q9UGI6 1/20 0.35

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
SCHEMBL24357959 1.00 MAP3K12 (0.39) MAP3K12SYKKARS1IDH2ERN1
SCHEMBL24358207 0.91 TRPV1 (0.40) MAP3K12SYKIDH2
SCHEMBL30745671 0.91 TRPV1 (0.40) MAP3K12SYKIDH2
SCHEMBL30745778 0.87 KDR (0.44) MAP3K12SYKKARS1IDH2KCNN1
SCHEMBL24358155 0.87 KDR (0.44) MAP3K12SYKKARS1IDH2KCNN1
SCHEMBL24358023 0.86 KDR (0.43) MAP3K12SYKKARS1IDH2KCNN1
SCHEMBL29601680 0.86 KDR (0.43) MAP3K12SYKKARS1IDH2KCNN1
SCHEMBL24358235 0.84 MAP3K12 (0.42) MAP3K12SYK
SCHEMBL30745665 0.84 MAP3K12 (0.42) MAP3K12SYK
SCHEMBL24358025 0.80 CHRNA7 (0.41) MAP3K12SYKKARS1IDH2KCNN1

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-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
CN-116547282-A Heterocyclic compounds and their use for the treatment of helminth infections and diseases 新基公司 2023-08-04 CN 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 MAP3K12 2391/4885SYK 2612/4885KARS1 3945/4885

“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.