SCHEMBL20533922

SCHEMBL20533922

CSc1nc(N)n2nc(C)cc2n1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.69
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
LMNA P02545 1/20 0.61
KDM4E B2RXH2 4/20 0.45
MAOB P27338 1/20 0.41
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
PIK3CG P48736 1/20 0.39
KMT2A Q03164 2/20 0.38
AURKA O14965 1/20 0.37
KDR P35968 1/20 0.37
AURKB Q96GD4 1/20 0.37
HSP90AB1 P08238 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 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
Dametralast SCHEMBL1816337 0.78 KDM4E (0.50) POLBNPC1RAB9ALMNAKDM4E
SCHEMBL22727738 0.72 KDM4E (0.45) POLBNPC1RAB9ALMNAKDM4E
SCHEMBL11003054 0.70 KDM4E (0.44) POLBNPC1RAB9ALMNAKDM4E
SCHEMBL15232215 0.70 NPC1 (0.51) POLBNPC1RAB9ALMNAADORA3
SCHEMBL10297718 0.69 PIK3CG (0.42) POLBNPC1RAB9AKDM4EMAOB
SCHEMBL11918984 0.69 ADORA3 (0.52) POLBNPC1RAB9ALMNAKDM4E
SCHEMBL10388599 0.68 KDM4E (0.66) POLBNPC1RAB9ALMNAKDM4E
SCHEMBL12838093 0.67 PIK3CG (0.61) NPC1RAB9AKDM4EPIK3CGAURKA
SCHEMBL11930695 0.67 KDM4E (0.54) POLBNPC1RAB9ALMNAKDM4E
SCHEMBL24618217 0.66 KMT2A (0.63) LMNAKDM4EKMT2AAURKAKDR

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 POLB 2003/4885NPC1 4159/4885RAB9A 1202/4885

“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.