SCHEMBL12371777

SCHEMBL12371777

NCCCNc1ncc2[nH]c(=O)n(Cc3ccccc3-c3ccccc3)c2n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
USP1 O94782 13/20 0.43
ADORA3 P0DMS8 1/20 0.42
CCNE2 O96020 1/20 0.39
CCNA2 P20248 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCNA1 P78396 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
ABL1 P00519 1/20 0.36

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
SCHEMBL12371703 0.87 JAK2 (0.44) USP1ADORA3TLR7JAK2JAK3
SCHEMBL12371765 0.87 ADORA3 (0.53) USP1ADORA3TLR7
SCHEMBL13608216 0.86 CDK2 (0.40) USP1ADORA3CCNE1CDK2TLR7
SCHEMBL12371663 0.86 CYP1A2 (0.40) USP1ADORA3TLR7JAK2JAK3
SCHEMBL12371660 0.86 PRKCQ (0.46) USP1ADORA3TLR7JAK2JAK3
SCHEMBL12371711 0.86 ADORA3 (0.44) USP1ADORA3CCNE2CCNA2CCNE1
SCHEMBL13608406 0.85 ADORA3 (0.47) USP1ADORA3CCNE2CCNA2CCNE1
SCHEMBL13608212 0.84 ADORA3 (0.38) USP1ADORA3TLR7JAK2JAK3
SCHEMBL12371672 0.84 ADORA2A (0.43) ADORA3TLR7HDAC3HDAC1HDAC2
SCHEMBL13608206 0.84 GRIN1 (0.44) USP1JAK2JAK3

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-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
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
US-20080085909-A1 Purinones and 1H-imidazopyridinones as PKC-theta inhibitors PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2008-04-10 US 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 3620/4885ADORA3 1163/4885CCNE2 3775/4885

“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.