SCHEMBL29393152

SCHEMBL29393152

c1cnc2sc(C3CC3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.51
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 8/20 0.41
RAB9A P51151 7/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 5/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 2/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
HCRTR1 O43613 1/20 0.37
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GAA P10253 2/20 0.36
RUNX1 Q01196 1/20 0.36
CBFB Q13951 1/20 0.36

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
SCHEMBL25607749 1.00 PDK1 (0.51) PDK1POLBMEN1KMT2ANPC1
SCHEMBL3208483 0.92 PDK1 (0.45) PDK1POLBMEN1KMT2ANPC1
SCHEMBL3208479 0.92 PDK1 (0.45) PDK1POLBMEN1KMT2ANPC1
SCHEMBL26488507 0.92 PDK1 (0.47) PDK1POLBMEN1KMT2ANPC1
SCHEMBL25232028 0.75 GPR119 (0.51) POLBALDH1A1HTTTSHRNPSR1
SCHEMBL9533470 0.72 KMT2A (0.77) POLBMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL25805561 0.71 HRH3 (0.46) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL30521645 0.71 HRH3 (0.46) POLBMEN1KMT2ANPC1RAB9A
SCHEMBL140126 0.71 PDK1 (0.60) PDK1POLBMEN1KMT2ANPC1
SCHEMBL30190003 0.71 PDK1 (0.60) PDK1POLBMEN1KMT2ANPC1

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-11248007-B2 Inhibitors of MALT1 and uses thereof CORNELL UNIVERSITY (US) 2022-02-15 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-11248007-B2 Inhibitors of MALT1 and uses thereof MALT1, BCL6, BCL3 PDK1 1021/4885POLB 4053/4885MEN1 2523/4885

“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.