SCHEMBL12371679

SCHEMBL12371679

O=c1[nH]c2cnc(NC[C@H]3CCCNC3)nc2n1Cc1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP1 O94782 7/20 0.39
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
PRKCQ Q04759 1/20 0.38
MERTK Q12866 1/20 0.38
CDK4 P11802 1/20 0.38
DPP4 P27487 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
SYK P43405 2/20 0.35
AURKB Q96GD4 2/20 0.35
KCNH2 Q12809 1/20 0.35
KDM1A O60341 1/20 0.35
CHEK1 O14757 1/20 0.34
IRAK1 P51617 1/20 0.34
IRAK4 Q9NWZ3 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
SCHEMBL12371636 0.95 KDM1A (0.39) USP1BRD4ATAD2PRKCQCDK4
SCHEMBL13608277 0.95 KDM1A (0.39) USP1BRD4ATAD2PRKCQCDK4
SCHEMBL12371697 0.90 PRKCQ (0.43) USP1BRD4ATAD2PRKCQMERTK
SCHEMBL12397341 0.90 USP1 (0.39) USP1BRD4ATAD2MERTKCDK4
SCHEMBL13608394 0.90 BRD4 (0.44) USP1BRD4ATAD2PRKCQMERTK
SCHEMBL13608319 0.90 BRD4 (0.44) USP1BRD4ATAD2PRKCQMERTK
SCHEMBL12371692 0.89 PRKCQ (0.41) USP1PRKCQMERTKDPP4ADORA3
SCHEMBL12371683 0.87 CHEK1 (0.42) USP1BRD4ATAD2PRKCQDPP4
SCHEMBL12371680 0.87 CHEK1 (0.42) USP1BRD4ATAD2PRKCQDPP4
SCHEMBL13608249 0.86 BRD4 (0.38) USP1BRD4ATAD2CDK4ADORA3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989459-B2 Protein kinase C (PKC); rheumatoid arthritis, lupus, transplant rejection, asthma, inflammatory bowel disease, cancer and diabetes; for example, 2-(pyrrolidin-3-ylmethylamino)-9-(2-trifluoromethoxybenzyl)-7,8-dihydro-9H-purin-8-one PHARMACOPEIA, LLC (US) 2011-08-02 US disclosed
WO-2008143674-A1 PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2008-11-27 WO disclosed
US-20080085909-A1 Purinones and 1H-imidazopyridinones as PKC-theta inhibitors PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-04-10 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-20080085909-A1 Purinones and 1H-imidazopyridinones as PKC-theta inhibitors PRKCE, PRKCH, PRKCQ USP1 3620/4885BRD4 1476/4885ATAD2 3472/4885

“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.