SCHEMBL20533764

SCHEMBL20533764

CC(=O)N1CCN(c2cc(N(Cc3cc(C)nn3C)C(=O)O)n3nc(C)c(-c4ccc5c(c4)c(C)nn5C)c3n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD3 Q9NY59 1/20 0.34
HSD17B10 Q99714 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
HSP90AA1 P07900 1/20 0.33
KMT2A Q03164 1/20 0.33
CREBBP Q92793 3/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
MAPT P10636 6/20 0.32
GBA1 P04062 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
CASP1 P29466 1/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABCB1 P08183 1/20 0.32
POLB P06746 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
NCF1 P14598 1/20 0.31

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
SCHEMBL20533772 0.88 ALDH1A1 (0.35) SMPD3HSD17B10ALDH1A1MEN1HSP90AA1
SCHEMBL20533898 0.88 SMPD3 (0.48) SMPD3HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL20533667 0.87 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL20533913 0.85 CRHR1 (0.30) HSD17B10ALDH1A1HPGD
SCHEMBL20534146 0.84 SMPD3 (0.40) SMPD3HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL20533584 0.83 SMPD3 (0.43) SMPD3HSD17B10ALDH1A1MEN1KMT2A
SCHEMBL20533961 0.83 GBA1 (0.37) SMPD3ABCG2GBA1ABCB1NCF1
SCHEMBL20533594 0.83 ALDH1A1 (0.36) SMPD3HSD17B10ALDH1A1CREBBPABCG2
SCHEMBL20533888 0.81 ABCG2 (0.35) SMPD3HSD17B10ALDH1A1MEN1HSP90AA1
SCHEMBL20533697 0.79 PI4KB (0.38) HSD17B10ALDH1A1MEN1HSP90AA1KMT2A

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 SMPD3 2463/4885HSD17B10 2839/4885ALDH1A1 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.