SCHEMBL20533595

SCHEMBL20533595

COc1ccc(-c2c(C)nn3c(NCc4cccc(S(C)(=O)=O)c4)cc(N4CCN(C(C)=O)CC4)nc23)cc1S(C)(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 17/20 0.61
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SMPD3 Q9NY59 1/20 0.38
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL20533747 0.94 PI4KB (0.63) PI4KBALDH1A1GAAMAPTTP53
SCHEMBL20533904 0.93 PI4KB (0.60) PI4KBALDH1A1GAAMAPTTP53
SCHEMBL20534205 0.91 PI4KB (0.60) PI4KBALDH1A1GAAMAPTTP53
SCHEMBL20533762 0.90 PI4KB (0.56) PI4KBALDH1A1GAAMAPTTP53
SCHEMBL20533718 0.88 PI4KB (0.55) PI4KBALDH1A1GAAMAPTTP53
SCHEMBL20533899 0.88 PI4KB (0.61) PI4KBALDH1A1GAAMAPTTP53
SCHEMBL20533567 0.87 PI4KB (0.53) PI4KBALDH1A1GAAMAPTTP53
SCHEMBL20533915 0.85 PI4KB (0.45) PI4KBALDH1A1MAPTSMN1; SMN2SMPD3
SCHEMBL20533583 0.85 PI4KB (0.45) PI4KBALDH1A1MAPTSMN1; SMN2SMPD3
SCHEMBL20534210 0.85 PI4KB (0.54) PI4KBALDH1A1GAAHPGDSMN1; SMN2

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 PI4KB 3/4885ALDH1A1 3654/4885GAA 4122/4885

“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.