SCHEMBL13620282

SCHEMBL13620282

C#Cc1ccc(OC(F)(F)F)c(Cn2c(=O)[nH]c3cnc(NC[C@@H]4CCNC4)nc32)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.38
MCHR1 Q99705 2/20 0.33
CHEK1 O14757 2/20 0.33
ADRA2A P08913 1/20 0.33
NPY5R Q15761 1/20 0.33
JAK2 O60674 3/20 0.33
JAK3 P52333 3/20 0.33
BRD4 O60885 2/20 0.33
ATAD2 Q6PL18 1/20 0.33
PRKCQ Q04759 1/20 0.32
DDR1 Q08345 2/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
USP1 O94782 1/20 0.31
CDK4 P11802 1/20 0.31
FASN P49327 1/20 0.31
PIM1 P11309 1/20 0.30
FLT3 P36888 1/20 0.30
KCNH2 Q12809 1/20 0.30
PIM3 Q86V86 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
SCHEMBL13620229 0.93 KDM1A (0.44) KDM1ACHEK1JAK2JAK3DDR1
SCHEMBL13620418 0.90 KDM1A (0.40) KDM1AJAK2JAK3BRD4ATAD2
SCHEMBL13620049 0.90 MCHR1 (0.37) MCHR1ADRA2ANPY5RJAK2JAK3
SCHEMBL13620483 0.89 KDM1A (0.47) KDM1ACHEK1JAK2JAK3USP1
SCHEMBL3848466 0.89 MCHR1 (0.42) KDM1AMCHR1ADRA2ANPY5RBRD4
SCHEMBL13620423 0.89 USP1 (0.38) KDM1AMCHR1CHEK1ADRA2ANPY5R
SCHEMBL3848468 0.89 MCHR1 (0.42) KDM1AMCHR1ADRA2ANPY5RBRD4
SCHEMBL13620230 0.89 BRD4 (0.37) KDM1AMCHR1CHEK1ADRA2ANPY5R
SCHEMBL13620288 0.88 USP1 (0.36) KDM1AMCHR1ADRA2ANPY5RBRD4
SCHEMBL12371632 0.87 PRKCQ (0.43) KDM1AMCHR1CHEK1ADRA2ANPY5R

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-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 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-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PRKCE, PRKCZ, PRKCQ KDM1A 1070/4885MCHR1 3804/4885CHEK1 588/4885

“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.