SCHEMBL12371672

SCHEMBL12371672

NCCCNc1ncc2[nH]c(=O)n(Cc3ccccc3C(F)(F)F)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.43
EPHX2 P34913 7/20 0.42
PPARG P37231 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
FLT3 P36888 2/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
GAS6 Q14393 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
DPP4 P27487 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAP4K3 Q8IVH8 1/20 0.37
MAP4K1 Q92918 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
HPGD P15428 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
SCHEMBL12371703 0.88 JAK2 (0.44) ADORA2AJAK2JAK3ADORA3TLR7
SCHEMBL12371669 0.88 JAK2 (0.42) FLT3JAK2JAK3MAP4K1TLR7
SCHEMBL12371666 0.87 JAK2 (0.44) ADORA2AFLT3JAK2JAK3MAP4K1
SCHEMBL12371675 0.86 BRD4 (0.43) ADORA2AJAK2JAK3DPP4HDAC3
SCHEMBL13620401 0.86 TLR7 (0.39) JAK2JAK3ADORA3TLR7SYK
SCHEMBL13620060 0.85 JAK2 (0.42) EPHX2FLT3JAK2JAK3DPP4
SCHEMBL12371663 0.85 CYP1A2 (0.40) JAK2JAK3DPP4ADORA3TLR7
SCHEMBL13608216 0.85 CDK2 (0.40) JAK2JAK3ADORA3TLR7
SCHEMBL12371660 0.85 PRKCQ (0.46) JAK2JAK3ADORA3TLR7TSHR
SCHEMBL12371711 0.85 ADORA3 (0.44) JAK2JAK3ADORA3TLR7SYK

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 ADORA2A 995/4885EPHX2 2564/4885PPARG 1392/4885

“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.