SCHEMBL12371624

SCHEMBL12371624

CC(C)(C)OC(=O)NCCCNc1ncc(N)c(NCc2c(Cl)cccc2Cl)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.54
STK17A Q9UEE5 1/20 0.54
FGFR1 P11362 1/20 0.46
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
ADORA2B P29275 1/20 0.43
MERTK Q12866 1/20 0.41
BRD4 O60885 5/20 0.41
DRD2 P14416 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
ITK Q08881 3/20 0.40
EGFR P00533 2/20 0.40
SIRT5 Q9NXA8 3/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 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
SCHEMBL12371621 0.85 STK17A (0.51) STK17BSTK17AFGFR1LMNAGAA
SCHEMBL19665726 0.80 STK17B (0.56) STK17BSTK17AGAAADORA2AADORA1
SCHEMBL29802472 0.80 STK17B (0.56) STK17BSTK17AGAAADORA2AADORA1
SCHEMBL2276621 0.79 FGFR1 (0.42) FGFR1EGFRHDAC3HDAC1HDAC2
SCHEMBL3171713 0.77 STK17B (0.47) STK17BSTK17AFGFR1MERTKBRD4
SCHEMBL12371622 0.74 STK17B (0.46) STK17BSTK17AFGFR1LMNAGAA
SCHEMBL14907974 0.74 STK17B (0.59) STK17BSTK17AGAAADORA2AADORA1
SCHEMBL2276627 0.73 JAK3 (0.38) HDAC3HDAC1HDAC2HDAC6
SCHEMBL13608027 0.73 STK17B (0.46) STK17BSTK17AFGFR1LMNAGAA
SCHEMBL14907839 0.71 POLB (0.53) LMNAGAAHPGDDRD2POLB

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.