SCHEMBL30745797

SCHEMBL30745797

CCOc1cnc(-c2csc(Nc3cc(C)ccn3)n2)c(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 14/20 0.55
KMT2A Q03164 14/20 0.55
NPC1 O15118 12/20 0.55
RAB9A P51151 10/20 0.55
CASP3 P42574 2/20 0.55
SENP8 Q96LD8 2/20 0.55
SENP7 Q9BQF6 2/20 0.55
SENP6 Q9GZR1 2/20 0.55
KCNN1 Q92952 1/20 0.55
KCNN2 Q9H2S1 1/20 0.55
KCNN3 Q9UGI6 1/20 0.55
SLC2A1 P11166 1/20 0.54
POLB P06746 2/20 0.52
GAA P10253 1/20 0.52
NR2F2 P24468 1/20 0.52
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPK1 P28482 2/20 0.48
SYK P43405 1/20 0.48
KDM4E B2RXH2 2/20 0.48

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
SCHEMBL27039641 1.00 MEN1 (0.55) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL30745762 0.85 KCNN1 (0.63) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL24357997 0.85 KCNN1 (0.63) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL27039611 0.82 KCNN1 (0.65) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL30745730 0.81 NPC1 (0.57) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL24358194 0.81 NPC1 (0.57) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL30745727 0.80 MEN1 (0.61) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL24358050 0.80 KCNN1 (0.61) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL30745693 0.80 KCNN1 (0.61) MEN1KMT2ANPC1RAB9ACASP3
SCHEMBL27039768 0.80 MEN1 (0.61) MEN1KMT2ANPC1RAB9ACASP3

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-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION 2024-01-25 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-20240025891-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CYP8B1, PAH, INHA MEN1 2606/4885KMT2A 1911/4885NPC1 2626/4885

“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.