SCHEMBL24257646

SCHEMBL24257646

NCCNc1nc(-c2ccccn2)cs1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 13/20 0.64
MAPT P10636 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
NPC1 O15118 1/20 0.63
ALDH1A1 P00352 1/20 0.63
RAB9A P51151 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MEN1 O00255 1/20 0.58
NR1I2 O75469 1/20 0.58
NFKB1 P19838 1/20 0.58
PPP1CA P62136 1/20 0.58
NFKB2 Q00653 1/20 0.58
KMT2A Q03164 1/20 0.58
RELA Q04206 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
MECP2 P51608 1/20 0.58
KCNN1 Q92952 1/20 0.58
KCNN2 Q9H2S1 1/20 0.58
MBD2 Q9UBB5 1/20 0.58
KCNN3 Q9UGI6 1/20 0.58

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
Hydrochloric Acid SCHEMBL5126707 0.87 NPY5R (0.69) NPY5RMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL24257425 0.84 MAPT (0.62) NPY5RMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL24257641 0.84 MAPT (0.62) NPY5RMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL3915911 0.83 MAPT (0.88) NPY5RMAPTSMN1; SMN2NPC1ALDH1A1
Bromide SCHEMBL6930883 0.82 MAPT (0.86) NPY5RMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL19782991 0.81 MAPT (0.60) NPY5RMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL1017669 0.79 ALDH1A1 (0.67) NPY5RMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL7678939 0.79 MAPT (0.81) NPY5RMAPTSMN1; SMN2NPC1ALDH1A1
SCHEMBL14276495 0.79 NPY5R (1.00) NPY5RCYP2D6
SCHEMBL24257655 0.78 MAPT (0.57) NPY5RMAPTSMN1; SMN2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322815-A1 NOVEL COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITY OF HUDDERSFIELD (GB) 2023-10-12 US disclosed
WO-2022034313-A1 NOVEL COMPOUNDS AND THERAPEUTIC USES THEREOF UNIVERSITY OF HUDDERSFIELD (GB) 2022-02-17 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-20230322815-A1 NOVEL COMPOUNDS AND THERAPEUTIC USES THEREOF BRCA1, TPX2, XPA NPY5R 1165/4885MAPT 4231/4885SMN1; SMN2 1197/4885

“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.