SCHEMBL20533723

SCHEMBL20533723

CS(=N)(=O)c1cccc(CN2C(=O)c3ccccc3C2=O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 3/20 0.53
KMT2A Q03164 4/20 0.52
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA9 Q16790 3/20 0.51
NPSR1 Q6W5P4 1/20 0.47
CLTC Q00610 2/20 0.46
MAPK1 P28482 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
ALOX15 P16050 2/20 0.45
HTT P42858 2/20 0.45
PABPC1 P11940 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
TSHR P16473 1/20 0.45
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 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
SCHEMBL15486311 0.84 CA1 (0.68) CASP3CA12CA1CA2CA9
SCHEMBL20533666 0.83 KMT2A (0.50) CASP3KMT2ACA12CA1CA2
SCHEMBL2258501 0.79 KMT2A (0.70) CASP3KMT2ACA12CA1CA2
SCHEMBL20533934 0.79 KMT2A (0.55) CASP3KMT2ACA12CA1CA2
SCHEMBL29819860 0.75 KMT2A (0.60) CASP3KMT2ACA12CA1CA9
SCHEMBL10922984 0.75 KMT2A (0.60) CASP3KMT2ACA12CA1CA9
SCHEMBL5142123 0.75 ALDH1A1 (0.54) CASP3KMT2AMAPTHPGDSMN1; SMN2
SCHEMBL13254888 0.75 KMT2A (0.56) CASP3KMT2ANPSR1MAPK1MAPT
SCHEMBL22343845 0.75 KMT2A (0.56) CASP3KMT2ANPSR1MAPK1MAPT
SCHEMBL28611590 0.74 CA1 (0.66) CASP3CA12CA1CA2CA9

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 CASP3 792/4885KMT2A 2326/4885CA12 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.