SCHEMBL20533666

SCHEMBL20533666

CN=S(C)(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
CASP3 P42574 3/20 0.50
CA12 O43570 3/20 0.49
CA1 P00915 3/20 0.49
CA2 P00918 3/20 0.49
CA9 Q16790 3/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
CLTC Q00610 2/20 0.45
KDM4E B2RXH2 2/20 0.44
MAPK1 P28482 2/20 0.44
PABPC1 P11940 1/20 0.43
ALOX15 P16050 1/20 0.43
MEN1 O00255 1/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL20533934 0.85 KMT2A (0.55) KMT2ACASP3CA12CA1CA2
SCHEMBL15486080 0.85 CA1 (0.64) CASP3CA12CA1CA2CA9
SCHEMBL20533723 0.83 CASP3 (0.53) KMT2ACASP3CA12CA1CA2
SCHEMBL2258501 0.77 KMT2A (0.70) KMT2ACASP3CA12CA1CA2
SCHEMBL23665769 0.73 ENPP2 (0.46) CA12CA1CA2CA9
SCHEMBL20533585 0.73 HTR6 (0.46) CA12CA1CA2CA9MAPT
SCHEMBL29819860 0.73 KMT2A (0.60) KMT2ACASP3CA12CA1CA9
SCHEMBL18669170 0.73 KDM4E (0.73) KMT2ACASP3NPSR1MAPTHPGD
SCHEMBL10922984 0.73 KMT2A (0.60) KMT2ACASP3CA12CA1CA9
SCHEMBL5142123 0.73 ALDH1A1 (0.54) KMT2ACASP3MAPTHPGDKDM4E

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-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-10-18 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-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors PI4KA, PI4K2B, PI4KB KMT2A 2326/4885CASP3 792/4885CA12 4844/4885

“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.