SCHEMBL12371732

SCHEMBL12371732

Cc1cccc(Cl)c1Cn1c(=O)[nH]c2cnc(NCCN(C)C)nc21

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
JAK2 O60674 1/20 0.42
JAK3 P52333 1/20 0.42
ADORA3 P0DMS8 1/20 0.41
USP1 O94782 7/20 0.41
NMT2 O60551 2/20 0.38
NMT1 P30419 2/20 0.38
TLR7 Q9NYK1 4/20 0.37
BRD4 O60885 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
FGFR1 P11362 2/20 0.37
EGFR P00533 1/20 0.37
SRC P12931 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
MAPK14 Q16539 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
SCHEMBL13608364 0.94 JAK2 (0.46) ADORA2AADORA1JAK2JAK3ADORA3
SCHEMBL13608362 0.90 ADORA2A (0.51) ADORA2AADORA1JAK2JAK3ADORA3
SCHEMBL13608375 0.86 USP1 (0.41) ADORA2AADORA1JAK2JAK3ADORA3
SCHEMBL12371731 0.86 USP1 (0.44) ADORA2AADORA1ADORA3USP1TLR7
SCHEMBL13608397 0.85 ADORA3 (0.44) ADORA2AADORA1ADORA3USP1TLR7
SCHEMBL12371751 0.81 JAK2 (0.40) JAK2JAK3ADORA3USP1SRC
SCHEMBL12371769 0.81 JAK2 (0.39) JAK2JAK3ADORA3USP1NMT1
SCHEMBL12371720 0.80 TLR7 (0.43) ADORA3USP1TLR7FGFR1EGFR
SCHEMBL13608396 0.80 ALDH1A1 (0.39) ADORA2AADORA1ADORA3USP1NMT2
SCHEMBL2270517 0.80 JAK2 (0.47) JAK2JAK3ADORA3USP1TLR7

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.