SCHEMBL13620052

SCHEMBL13620052

O=c1[nH]c2cnc(NC[C@@H]3CCNC3)nc2n1Cc1cc(-c2cccs2)ccc1OC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
KDM1A O60341 3/20 0.35
PBK Q96KB5 2/20 0.34
CHEK1 O14757 1/20 0.34
MCHR1 Q99705 2/20 0.33
ADRA2A P08913 1/20 0.33
NPY5R Q15761 1/20 0.33
PIM1 P11309 1/20 0.33
HDAC3 O15379 4/20 0.33
HDAC1 Q13547 4/20 0.33
HDAC2 Q92769 4/20 0.33
USP1 O94782 2/20 0.33
PRKCQ Q04759 1/20 0.32
BRD4 O60885 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 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
SCHEMBL3845548 0.90 TRIM58 (0.40) KDM1AMCHR1ADRA2ANPY5RPIM1
SCHEMBL3845553 0.90 TRIM58 (0.40) KDM1AMCHR1ADRA2ANPY5RPIM1
SCHEMBL13620414 0.88 USP1 (0.35) GRIN1GRIN2BKDM1AMCHR1ADRA2A
SCHEMBL13620048 0.87 USP1 (0.38) KDM1AUSP1BRD4
SCHEMBL13620376 0.87 KDM1A (0.42) GRIN1GRIN2BKDM1ACHEK1PIM1
SCHEMBL13620412 0.87 KDM1A (0.39) KDM1AMCHR1ADRA2ANPY5RUSP1
SCHEMBL13620483 0.87 KDM1A (0.47) KDM1ACHEK1USP1
SCHEMBL13620230 0.86 BRD4 (0.37) KDM1ACHEK1MCHR1ADRA2ANPY5R
SCHEMBL3848468 0.86 MCHR1 (0.42) KDM1AMCHR1ADRA2ANPY5RPRKCQ
SCHEMBL13620423 0.86 USP1 (0.38) GRIN1GRIN2BKDM1ACHEK1MCHR1

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 GRIN1 554/4885GRIN2B 953/4885KDM1A 1070/4885

“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.