SCHEMBL20533772

SCHEMBL20533772

CC(=O)N1CCN(c2cc(N(Cc3ccnc(C)c3)C(=O)O)n3nc(C)c(-c4ccc5c(c4)c(C)nn5C)c3n2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
HSD17B10 Q99714 4/20 0.35
MEN1 O00255 1/20 0.35
HSP90AA1 P07900 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 4/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
WNT3A P56704 4/20 0.33
ABCG2 Q9UNQ0 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
ABCB1 P08183 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 1/20 0.32
CREBBP Q92793 2/20 0.32
ACVR1 Q04771 1/20 0.32
FLT3 P36888 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMPD3 Q9NY59 1/20 0.32

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
SCHEMBL20533764 0.88 SMPD3 (0.34) ALDH1A1HSD17B10MEN1HSP90AA1KMT2A
SCHEMBL20533686 0.86 SMPD3 (0.46) ALDH1A1HSD17B10MEN1KMT2AHPGD
SCHEMBL20533888 0.85 ABCG2 (0.35) ALDH1A1HSD17B10MEN1HSP90AA1KMT2A
SCHEMBL20533889 0.84 PI4KB (0.48) ALDH1A1HSD17B10HPGDSMN1; SMN2WNT3A
SCHEMBL20533661 0.83 PI4KB (0.39) ALDH1A1HSD17B10MEN1HSP90AA1KMT2A
SCHEMBL20533564 0.82 GBA1 (0.36) WNT3AABCG2ABCB1
SCHEMBL20533697 0.82 PI4KB (0.38) ALDH1A1HSD17B10MEN1HSP90AA1KMT2A
SCHEMBL23012202 0.77 PI4KB (0.38) ALDH1A1MEN1KMT2AHPGDPI4KB
SCHEMBL29715036 0.77 PI4KB (0.38) ALDH1A1MEN1KMT2AHPGDPI4KB
SCHEMBL20533898 0.76 SMPD3 (0.48) ALDH1A1HSD17B10MEN1KMT2AHPGD

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 ALDH1A1 3654/4885HSD17B10 2839/4885MEN1 3280/4885

“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.