SCHEMBL3845145

SCHEMBL3845145

O=c1[nH]c2cnc(NCC3CCNC3)nc2n1Cc1cccc(I)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
KDM1A O60341 1/20 0.39
USP1 O94782 12/20 0.39
ADORA3 P0DMS8 1/20 0.38
MAOB P27338 2/20 0.37
HTR6 P50406 2/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
GLA P06280 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MTOR P42345 1/20 0.36
IRAK1 P51617 1/20 0.35

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
SCHEMBL3845143 1.00 BRD4 (0.40) BRD4ATAD2KDM1AUSP1ADORA3
SCHEMBL13608235 0.90 PRKCQ (0.40) BRD4ATAD2KDM1AUSP1ADORA3
SCHEMBL12371689 0.90 HTR6 (0.47) BRD4ATAD2KDM1AUSP1ADORA3
SCHEMBL13608387 0.89 ADORA3 (0.48) KDM1AUSP1ADORA3MAOBHTR6
SCHEMBL13608315 0.89 ADORA3 (0.43) BRD4ATAD2KDM1AUSP1ADORA3
SCHEMBL12371715 0.87 USP1 (0.45) USP1ADORA3HTR6
SCHEMBL13608112 0.87 IRAK4 (0.39) BRD4ATAD2KDM1AUSP1ADORA3
SCHEMBL13608225 0.86 CYP3A4 (0.42) USP1ADORA3MAOBHTR6USP2
SCHEMBL3847968 0.86 CDK9 (0.42) KDM1AUSP1ADORA3IRAK1IRAK4
SCHEMBL3847971 0.86 CDK9 (0.42) KDM1AUSP1ADORA3IRAK1IRAK4

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
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 BRD4 1920/4885ATAD2 3413/4885KDM1A 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.