SCHEMBL30745772

SCHEMBL30745772

Cc1ccnc(Nc2nc(-c3cccnc3)cs2)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 12/20 0.76
MEN1 O00255 12/20 0.76
KMT2A Q03164 12/20 0.76
RAB9A P51151 11/20 0.76
CASP3 P42574 3/20 0.76
SENP8 Q96LD8 3/20 0.76
SENP7 Q9BQF6 3/20 0.76
SENP6 Q9GZR1 3/20 0.76
SMN1; SMN2 Q16637 3/20 0.70
TDP1 Q9NUW8 3/20 0.70
TP53 P04637 1/20 0.70
GAA P10253 2/20 0.67
MAPT P10636 2/20 0.65
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
HTT P42858 1/20 0.65
KARS1 Q15046 1/20 0.65
KCNN1 Q92952 1/20 0.65
KCNN2 Q9H2S1 1/20 0.65

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
SCHEMBL17718147 1.00 NPC1 (0.76) NPC1MEN1KMT2ARAB9ACASP3
Bromide SCHEMBL17712433 0.99 NPC1 (0.78) NPC1MEN1KMT2ARAB9ACASP3
SCHEMBL14742607 0.86 MEN1 (0.81) NPC1MEN1KMT2ARAB9ACASP3
SCHEMBL16217124 0.83 MEN1 (0.83) NPC1MEN1KMT2ARAB9ACASP3
SCHEMBL6368865 0.82 KCNN1 (0.71) NPC1MEN1KMT2ARAB9ACASP3
SCHEMBL1889546 0.82 MEN1 (0.76) NPC1MEN1KMT2ARAB9ACASP3
SCHEMBL23185367 0.82 MEN1 (0.74) NPC1MEN1KMT2ARAB9ACASP3
SCHEMBL18029498 0.82 RAB9A (1.00) NPC1MEN1KMT2ARAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL6368779 0.81 KCNN1 (0.70) NPC1MEN1KMT2ARAB9ACASP3
SCHEMBL7679868 0.81 MAPK1 (0.82) NPC1MEN1KMT2ARAB9ACASP3

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 NPC1 2626/4885MEN1 2606/4885KMT2A 1911/4885

“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.