SCHEMBL20533911

SCHEMBL20533911

Cc1cc(CNc2cc(Cl)nc3c(Br)c(C)nn23)no1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.40
KCNH2 Q12809 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
KDM4E B2RXH2 5/20 0.37
MAPT P10636 5/20 0.37
NPSR1 Q6W5P4 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KCNN3 Q9UGI6 5/20 0.35
HSP90AA1 P07900 2/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE1C Q14123 1/20 0.35
KCNN1 Q92952 1/20 0.34
KCNN2 Q9H2S1 1/20 0.34
PI4KB Q9UBF8 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CRHR1 P34998 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
SCHEMBL20533935 0.82 CRHR1 (0.48) PDE10AKDM4EMAPTNPSR1ALDH1A1
SCHEMBL20533570 0.81 SYK (0.38) PDE10AKDM4EALDH1A1
SCHEMBL20448948 0.78 PI4KB (0.56) PDE10AKDM4EMAPTNPSR1ALDH1A1
SCHEMBL20533767 0.76 PDE10A (0.60) PDE10AKDM4EMAPTNPSR1ALDH1A1
SCHEMBL20533909 0.76 PI4KB (0.36) PDE10AKDM4EMAPTNPSR1ALDH1A1
SCHEMBL20533900 0.74 PI4KB (0.51) PDE10AKDM4EMAPTNPSR1ALDH1A1
SCHEMBL20533923 0.70 PI4KB (0.54) KCNN3KCNN1KCNN2PI4KB
SCHEMBL20533908 0.68 MAPT (0.45) PDE10AKDM4EMAPTALDH1A1RAB9A
SCHEMBL20533663 0.67 KMT2A (0.43) KDM4EMAPTNPSR1ALDH1A1RAB9A
SCHEMBL13317918 0.67 KDM4E (0.40) KDM4EMAPTNPSR1ALDH1A1MAPK1

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 PDE10A 1665/4885KCNH2 2334/4885TLR7 2804/4885

“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.