SCHEMBL12371711

SCHEMBL12371711

Cc1ccccc1Cn1c(=O)[nH]c2cnc(NCCCN)nc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.44
TLR7 Q9NYK1 7/20 0.43
USP1 O94782 5/20 0.40
SYK P43405 1/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
POLB P06746 2/20 0.37
PCSK9 Q8NBP7 1/20 0.37
CCNE2 O96020 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 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
SCHEMBL13608357 0.97 ADORA3 (0.43) ADORA3TLR7USP1SYKJAK2
SCHEMBL13845135 0.92 TLR7 (0.42) ADORA3TLR7USP1SYKJAK2
SCHEMBL12371703 0.89 JAK2 (0.44) ADORA3TLR7USP1JAK2JAK3
SCHEMBL12371660 0.88 PRKCQ (0.46) ADORA3TLR7USP1JAK2JAK3
SCHEMBL13608216 0.88 CDK2 (0.40) ADORA3TLR7USP1JAK2JAK3
SCHEMBL12371663 0.88 CYP1A2 (0.40) ADORA3TLR7USP1JAK2JAK3
SCHEMBL12371716 0.87 MTOR (0.49) ADORA3TLR7
SCHEMBL13608336 0.87 PIK3CD (0.42) ADORA3TLR7USP1JAK2JAK3
SCHEMBL13608280 0.87 HSP90AA1 (0.41) ADORA3TLR7USP1
SCHEMBL12371765 0.86 ADORA3 (0.53) ADORA3TLR7USP1

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 ADORA3 1163/4885TLR7 4054/4885USP1 3620/4885

“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.