SCHEMBL12371622

SCHEMBL12371622

CC(C)(C)OC(=O)NCCCNc1ncc2[nH]c(=O)n(Cc3c(Cl)cccc3Cl)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.46
STK17A Q9UEE5 1/20 0.46
FGFR1 P11362 3/20 0.42
ABL1 P00519 1/20 0.42
PDGFRB P09619 1/20 0.42
SRC P12931 1/20 0.42
PDGFRA P16234 1/20 0.42
MAPK14 Q16539 1/20 0.42
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
ADORA2B P29275 1/20 0.41
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
TLR7 Q9NYK1 3/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
PIM1 P11309 1/20 0.39
PIM2 Q9P1W9 1/20 0.39
BRD4 O60885 3/20 0.39

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
SCHEMBL2271463 0.82 JAK2 (0.41) FGFR1SRCJAK2JAK3USP1
SCHEMBL2270517 0.81 JAK2 (0.47) FGFR1SRCJAK2JAK3TLR7
SCHEMBL13608332 0.80 JAK2 (0.46) STK17BSTK17AFGFR1SRCJAK2
SCHEMBL13608364 0.79 JAK2 (0.46) FGFR1SRCMAPK14ADORA2AADORA1
SCHEMBL13608029 0.75 STK17B (0.42) STK17BSTK17AFGFR1SRCADORA1
SCHEMBL12371624 0.74 STK17B (0.54) STK17BSTK17AFGFR1ADORA2AADORA1
SCHEMBL12371732 0.74 ADORA2A (0.42) FGFR1SRCMAPK14ADORA2AADORA1
SCHEMBL13620380 0.73 JAK2 (0.47) FGFR1SRCJAK2JAK3TLR7
SCHEMBL13608362 0.73 ADORA2A (0.51) ADORA2AADORA1JAK2JAK3USP1
SCHEMBL13608103 0.73 DDR1 (0.43) ADORA2AADORA1ADORA2BDRD2

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 2 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-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 STK17B 231/4885STK17A 140/4885FGFR1 4175/4885

“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.