SCHEMBL20533924

SCHEMBL20533924

COc1ccc(-c2c(C)nn3c(N(Cc4cccc(S(C)(=O)=O)c4)C(=O)O)cc(N4CCN(C(C)=O)CC4)nc23)cc1OC(F)F

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 10/20 0.45
MAPT P10636 5/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SMPD3 Q9NY59 1/20 0.38
HSD17B10 Q99714 2/20 0.37
LMNA P02545 1/20 0.37
CASP1 P29466 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CRHR1 P34998 1/20 0.35
MEN1 O00255 1/20 0.34
CRHBP P24387 1/20 0.34
KMT2A Q03164 1/20 0.34
CRHR2 Q13324 1/20 0.34

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
SCHEMBL20533887 0.91 PI4KB (0.47) PI4KBMAPTALDH1A1TP53GAA
SCHEMBL20533914 0.86 PI4KB (0.42) PI4KBMAPTALDH1A1TP53GAA
SCHEMBL20534205 0.86 PI4KB (0.60) PI4KBMAPTALDH1A1TP53GAA
SCHEMBL20533691 0.84 SMPD3 (0.40) MAPTALDH1A1TP53GAAHPGD
SCHEMBL20533584 0.84 SMPD3 (0.43) MAPTALDH1A1TP53GAAHPGD
SCHEMBL20533697 0.83 PI4KB (0.38) PI4KBMAPTALDH1A1GAAHPGD
SCHEMBL20533686 0.82 SMPD3 (0.46) MAPTALDH1A1TP53GAAHPGD
SCHEMBL20533932 0.81 DPP4 (0.36) PI4KBALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL20533931 0.81 RORC (0.37) ALDH1A1TSHRSMN1; SMN2HSD17B10LMNA
SCHEMBL20533747 0.80 PI4KB (0.63) PI4KBMAPTALDH1A1TP53GAA

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 3/4885MAPT 2367/4885ALDH1A1 3654/4885

“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.