SCHEMBL13608342

SCHEMBL13608342

O=c1[nH]c2ccc(NC[C@@H]3CCNC3)nc2n1Cc1cccc(I)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.40
BRD4 O60885 2/20 0.39
ATAD2 Q6PL18 2/20 0.39
MAOB P27338 2/20 0.38
HTR6 P50406 2/20 0.38
PIM1 P11309 6/20 0.37
PIM3 Q86V86 5/20 0.37
PRMT5 O14744 1/20 0.37
PIM2 Q9P1W9 4/20 0.36
FLT3 P36888 1/20 0.36
KCNH2 Q12809 1/20 0.36
USP1 O94782 1/20 0.35
CDK1 P06493 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
CDK7 P50613 1/20 0.35
CCNH P51946 1/20 0.35
MNAT1 P51948 1/20 0.35
CDK9 P50750 2/20 0.34
CCNT1 O60563 2/20 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
SCHEMBL3845145 0.86 BRD4 (0.40) BRD4ATAD2MAOBHTR6USP1
SCHEMBL3845143 0.86 BRD4 (0.40) BRD4ATAD2MAOBHTR6USP1
SCHEMBL2274339 0.83 BIRC2 (0.39) BIRC2BRD4ATAD2MAOBHTR6
SCHEMBL2269378 0.83 BIRC2 (0.39) BIRC2BRD4ATAD2MAOBHTR6
SCHEMBL2269372 0.83 BIRC2 (0.39) BIRC2BRD4ATAD2MAOBHTR6
SCHEMBL13608282 0.81 BRD4 (0.42) BIRC2BRD4ATAD2PIM1PIM3
SCHEMBL13608271 0.79 CCNT1 (0.39) BIRC2BRD4ATAD2MAOBHTR6
SCHEMBL13620505 0.79 ADORA2A (0.41) BIRC2PIM1PIM3PRMT5PIM2
SCHEMBL13620277 0.77 PIM1 (0.42) BIRC2BRD4PIM1PIM3PRMT5
SCHEMBL13620507 0.77 PIM1 (0.38) BRD4ATAD2PIM1PIM3PIM2

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 2 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

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 BIRC2 3601/4885BRD4 1920/4885ATAD2 3413/4885

“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.