SCHEMBL12371803

SCHEMBL12371803

CN1CCC(CNc2ncc3[nH]c(=O)n(Cc4ccccc4C(F)(F)F)c3n2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.44
MAP4K3 Q8IVH8 1/20 0.42
MAP4K1 Q92918 1/20 0.42
ADORA2A P29274 1/20 0.41
RBP4 P02753 1/20 0.40
TTR P02766 1/20 0.40
PRKCQ Q04759 1/20 0.40
ACHE P22303 2/20 0.40
USP1 O94782 4/20 0.39
EPHX2 P34913 2/20 0.39
PPARG P37231 2/20 0.39
SSTR4 P31391 2/20 0.38
CHRM1 P11229 1/20 0.38
CNR2 P34972 1/20 0.37
CHEK1 O14757 1/20 0.37

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
SCHEMBL12371706 0.87 ALDH1A1 (0.42) DPP4MAP4K1ADORA2APRKCQUSP1
SCHEMBL12371687 0.87 PRKCQ (0.44) DPP4ADORA2APRKCQACHEEPHX2
SCHEMBL12371780 0.87 EPHX2 (0.43) DPP4MAP4K3MAP4K1ADORA2APRKCQ
SCHEMBL12371650 0.86 CHEK1 (0.41) DPP4MAP4K3MAP4K1ADORA2APRKCQ
SCHEMBL12371641 0.86 CHEK1 (0.41) DPP4MAP4K3MAP4K1ADORA2APRKCQ
SCHEMBL12371657 0.86 CHEK1 (0.41) DPP4MAP4K3MAP4K1ADORA2APRKCQ
SCHEMBL12371683 0.84 CHEK1 (0.42) DPP4ADORA2APRKCQUSP1EPHX2
SCHEMBL12371680 0.84 CHEK1 (0.42) DPP4ADORA2APRKCQUSP1EPHX2
SCHEMBL12371747 0.81 DPP4 (0.40) DPP4ACHEUSP1
SCHEMBL13608338 0.81 TYRO3 (0.41) DPP4PRKCQACHEUSP1CHEK1

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 DPP4 3324/4885MAP4K3 112/4885MAP4K1 122/4885

“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.