SCHEMBL31290952

SCHEMBL31290952

Cc1ccc(N)cc1Nc1nc(-c2cccnc2)cs1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.79
MEN1 O00255 5/20 0.76
KMT2A Q03164 5/20 0.76
RAB9A P51151 7/20 0.72
NPC1 O15118 6/20 0.72
POLB P06746 2/20 0.72
TDP1 Q9NUW8 1/20 0.72
CASP3 P42574 1/20 0.66
SENP8 Q96LD8 1/20 0.66
SENP7 Q9BQF6 1/20 0.66
SENP6 Q9GZR1 1/20 0.66
ABL1 P00519 1/20 0.64
BCR P11274 1/20 0.64
KIT P10721 6/20 0.59
ALDH1A1 P00352 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MAPK1 P28482 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
SCHEMBL1096303 1.00 GAA (0.79) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL26208469 0.88 GAA (1.00) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL16365487 0.87 GAA (0.73) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL2705354 0.86 GAA (0.79) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL10069153 0.85 GAA (0.81) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL4834856 0.84 GAA (0.72) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL715902 0.84 ABL1 (0.75) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL16365790 0.83 GAA (0.67) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL4376632 0.83 GAA (0.74) GAAMEN1KMT2ARAB9ANPC1
SCHEMBL1097467 0.82 GAA (0.72) GAAMEN1KMT2ARAB9ANPC1

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-20240400577-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC 2024-12-05 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-20240400577-A1 MODULATORS OF PROTEIN KINASES MAP3K20, PRKCE, PRKCH GAA 2086/4885MEN1 3726/4885KMT2A 2661/4885

“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.