SCHEMBL12371663

SCHEMBL12371663

NCCCNc1ncc2[nH]c(=O)n(Cc3ccccc3Br)c2n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
TLR7 Q9NYK1 7/20 0.39
JAK2 O60674 3/20 0.38
JAK3 P52333 3/20 0.38
USP1 O94782 4/20 0.38
PCSK9 Q8NBP7 1/20 0.36
CNR2 P34972 1/20 0.35
GPR18 Q14330 1/20 0.35
DPP4 P27487 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
SCHEMBL12371703 0.89 JAK2 (0.44) ADORA3TLR7JAK2JAK3USP1
SCHEMBL13608216 0.88 CDK2 (0.40) ADORA3TLR7JAK2JAK3USP1
SCHEMBL12371660 0.88 PRKCQ (0.46) CYP1A2CYP2D6CYP2C9ADORA3TLR7
SCHEMBL12371711 0.88 ADORA3 (0.44) ADORA3TLR7JAK2JAK3USP1
SCHEMBL13608212 0.87 ADORA3 (0.38) ADORA3TLR7JAK2JAK3USP1
SCHEMBL12371765 0.86 ADORA3 (0.53) HPGDADORA3TLR7USP1
SCHEMBL12371777 0.86 USP1 (0.43) ADORA3TLR7JAK2JAK3USP1
SCHEMBL12371716 0.85 MTOR (0.49) ADORA3TLR7
SCHEMBL12371672 0.85 ADORA2A (0.43) HPGDADORA3TLR7JAK2JAK3
SCHEMBL13608206 0.85 GRIN1 (0.44) JAK2JAK3USP1DPP4

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 CYP1A2 2363/4885CYP2D6 3533/4885CYP2C9 2464/4885

“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.