SCHEMBL12371755

SCHEMBL12371755

CN(C)CCNc1ncc2[nH]c(=O)n(Cc3ccccc3F)c2n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
JAK2 O60674 3/20 0.43
JAK3 P52333 3/20 0.43
USP1 O94782 6/20 0.42
ADORA3 P0DMS8 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
TLR7 Q9NYK1 4/20 0.39
NMT2 O60551 1/20 0.38
NMT1 P30419 1/20 0.38

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
SCHEMBL12371762 0.94 TLR7 (0.43) ADORA2AADORA1JAK2JAK3USP1
SCHEMBL13608397 0.89 ADORA3 (0.44) ADORA2AADORA1USP1ADORA3TLR7
SCHEMBL12371731 0.88 USP1 (0.44) ADORA2AADORA1USP1ADORA3MEN1
SCHEMBL13620291 0.88 USP1 (0.41) ADORA2AADORA1USP1ADORA3TLR7
SCHEMBL12371770 0.86 JAK2 (0.43) ADORA2AADORA1JAK2JAK3USP1
SCHEMBL12371703 0.86 JAK2 (0.44) ADORA2AADORA1JAK2JAK3USP1
SCHEMBL13620073 0.85 BRD4 (0.45) ADORA2AADORA1USP1ADORA3TLR7
SCHEMBL13608362 0.85 ADORA2A (0.51) ADORA2AADORA1JAK2JAK3USP1
SCHEMBL13608375 0.85 USP1 (0.41) ADORA2AADORA1JAK2JAK3USP1
SCHEMBL13620074 0.83 ADORA2A (0.50) ADORA2AADORA1JAK2JAK3USP1

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 ADORA2A 995/4885ADORA1 1307/4885JAK2 735/4885

“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.