SCHEMBL12371691

SCHEMBL12371691

NCCCNc1ncc2[nH]c(=O)n(Cc3cccc(F)c3F)c2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.54
JAK3 P52333 4/20 0.54
TLR7 Q9NYK1 3/20 0.38
USP1 O94782 4/20 0.38
ADORA2A P29274 4/20 0.38
ADORA1 P30542 4/20 0.38
ADORA3 P0DMS8 1/20 0.37
PRKCQ Q04759 1/20 0.36
ADORA2B P29275 1/20 0.36
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

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 0.92 JAK2 (0.44) JAK2JAK3TLR7USP1ADORA2A
SCHEMBL12371668 0.92 JAK2 (0.45) JAK2JAK3TLR7USP1ADORA2A
SCHEMBL12371665 0.89 JAK2 (0.51) JAK2JAK3TLR7USP1ADORA2A
SCHEMBL12371712 0.86 JAK2 (0.43) JAK2JAK3TLR7USP1ADORA2A
SCHEMBL13845135 0.85 TLR7 (0.42) JAK2JAK3TLR7USP1ADORA3
SCHEMBL12371654 0.85 JAK2 (0.39) JAK2JAK3TLR7USP1ADORA3
SCHEMBL12371663 0.85 CYP1A2 (0.40) JAK2JAK3TLR7USP1ADORA3
SCHEMBL12371660 0.85 PRKCQ (0.46) JAK2JAK3TLR7USP1ADORA3
SCHEMBL13608216 0.85 CDK2 (0.40) JAK2JAK3TLR7USP1ADORA3
SCHEMBL12371711 0.85 ADORA3 (0.44) JAK2JAK3TLR7USP1ADORA3

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 5 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
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
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 JAK2 735/4885JAK3 719/4885TLR7 4054/4885

“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.