SCHEMBL20533580

SCHEMBL20533580

CC(=O)N1CCN(c2cc(N(Cc3nc(C)no3)C(=O)O)n3nc(C)c(Br)c3n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.34
CRHR1 P34998 1/20 0.32
P2RX3 P56373 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
DPP4 P27487 1/20 0.31
PKM P14618 1/20 0.31
BRD4 O60885 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TSHR P16473 1/20 0.30
MEN1 O00255 1/20 0.30
HSP90AA1 P07900 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL20534228 0.82 GBA1 (0.35) GBA1P2RX3DPP4NPC1RAB9A
SCHEMBL20533961 0.82 GBA1 (0.37) GBA1P2RX3DPP4NPC1RAB9A
SCHEMBL20533564 0.81 GBA1 (0.36) GBA1
SCHEMBL20533750 0.81 CRHR1 (0.36) CRHR1PIK3CD
SCHEMBL20533931 0.78 RORC (0.37) RAB9AALDH1A1TSHRHSD17B10
SCHEMBL20533575 0.68 SMN1; SMN2 (0.42) DPP4RAB9AALDH1A1TSHRMEN1
SCHEMBL20533764 0.68 SMPD3 (0.34) GBA1DPP4ALDH1A1MEN1HSP90AA1
SCHEMBL20533933 0.67 PDE10A (0.30)
SCHEMBL20533692 0.67 NAPEPLD (0.30)
SCHEMBL20533917 0.64 APOBEC3A (0.39) CRHR1NPC1RAB9AALDH1A1TSHR

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 GBA1 4413/4885CRHR1 4351/4885P2RX3 1473/4885

“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.