SCHEMBL12371801

SCHEMBL12371801

CN1CCC(Nc2ncc3[nH]c(=O)n(Cc4ccccc4F)c3n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.50
ADORA1 P30542 4/20 0.50
MAPK14 Q16539 3/20 0.48
MAPK7 Q13164 1/20 0.47
USP1 O94782 2/20 0.44
JAK2 O60674 2/20 0.43
JAK3 P52333 2/20 0.43
MAP4K1 Q92918 1/20 0.43
CCNE2 O96020 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
MAPK1 P28482 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL12371766 0.89 ADORA2A (0.50) ADORA2AADORA1MAPK14MAPK7USP1
SCHEMBL12371791 0.79 HTR3A (0.41) ADORA2AADORA1USP1JAK2JAK3
SCHEMBL12371698 0.76 JAK2 (0.41) ADORA2AADORA1USP1JAK2JAK3
SCHEMBL12371755 0.76 ADORA2A (0.46) ADORA2AADORA1USP1JAK2JAK3
SCHEMBL12371770 0.76 JAK2 (0.43) ADORA2AADORA1USP1JAK2JAK3
SCHEMBL12371703 0.76 JAK2 (0.44) ADORA2AADORA1USP1JAK2JAK3
SCHEMBL12371762 0.75 TLR7 (0.43) ADORA2AADORA1USP1JAK2JAK3
SCHEMBL12371796 0.75 JAK2 (0.42) ADORA2AADORA1USP1JAK2JAK3
SCHEMBL12371706 0.74 ALDH1A1 (0.42) ADORA2AADORA1USP1MAP4K1CDK2
SCHEMBL12371803 0.74 DPP4 (0.44) ADORA2AUSP1MAP4K1

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 1307/4885MAPK14 376/4885

“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.