SCHEMBL3845548

SCHEMBL3845548

O=c1[nH]c2cnc(NC[C@@H]3CCNC3)nc2n1Cc1cc(-c2ccccc2)ccc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM58 Q8NG06 3/20 0.40
CCNE2 O96020 1/20 0.37
CCNA2 P20248 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
CCNA1 P78396 1/20 0.37
KDM1A O60341 1/20 0.36
MCHR1 Q99705 3/20 0.36
ADRA2A P08913 2/20 0.36
NPY5R Q15761 2/20 0.36
ADORA3 P0DMS8 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PRKCQ Q04759 1/20 0.35
USP1 O94782 3/20 0.35
PIM1 P11309 1/20 0.35
BRD4 O60885 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
IRAK1 P51617 1/20 0.34
PARP1 P09874 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
SCHEMBL3845553 1.00 TRIM58 (0.40) TRIM58CCNE2CCNA2CCNE1CDK2
SCHEMBL13620376 0.92 KDM1A (0.42) KDM1AADORA2AADORA1PIM1
SCHEMBL13620483 0.92 KDM1A (0.47) KDM1AUSP1
SCHEMBL13620414 0.92 USP1 (0.35) KDM1AMCHR1ADRA2ANPY5RADORA2A
SCHEMBL13620048 0.91 USP1 (0.38) KDM1AADORA3USP1BRD4
SCHEMBL13620412 0.91 KDM1A (0.39) KDM1AMCHR1ADRA2ANPY5RPRKCQ
SCHEMBL12371632 0.90 PRKCQ (0.43) KDM1AMCHR1ADRA2ANPY5RADORA2A
SCHEMBL12371645 0.90 PRKCQ (0.43) KDM1AMCHR1ADRA2ANPY5RADORA2A
SCHEMBL12371661 0.90 PRKCQ (0.43) KDM1AMCHR1ADRA2ANPY5RADORA2A
SCHEMBL13620052 0.90 GRIN1 (0.37) KDM1AMCHR1ADRA2ANPY5RADORA2A

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 4 patents. 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
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 US disclosed
WO-2009062059-A2 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-05-14 WO disclosed
WO-2009062059-A2 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-05-14 WO 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 TRIM58 4267/4885CCNE2 3162/4885CCNA2 2033/4885

“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.