SCHEMBL12371772

SCHEMBL12371772

NCCCNc1ncc2[nH]c(=O)n(CCc3ccccc3Cl)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.42
PAK1 Q13153 1/20 0.40
SIK2 Q9H0K1 4/20 0.40
SIK1 P57059 1/20 0.40
SIK3 Q9Y2K2 1/20 0.40
FGFR1 P11362 8/20 0.39
EGFR P00533 5/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
STK26 Q9P289 3/20 0.38
STK24 Q9Y6E0 3/20 0.38
STK4 Q13043 2/20 0.38
STK3 Q13188 2/20 0.38
DAO P14920 1/20 0.37
SRC P12931 3/20 0.36
FGFR2 P21802 2/20 0.36
FGFR4 P22455 2/20 0.36

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
SCHEMBL12371660 0.90 PRKCQ (0.46) PRKCQPAK1SIK2SIK1SIK3
SCHEMBL12399676 0.89 ALDH1A1 (0.36) PRKCQPAK1SIK2SIK1SIK3
SCHEMBL12371727 0.87 PRKCQ (0.49) PRKCQPAK1SIK2SIK1SIK3
SCHEMBL12371654 0.85 JAK2 (0.39) PRKCQPAK1SIK2SIK1SIK3
SCHEMBL12371809 0.84 STK17A (0.40) SIK2STK26STK24STK4STK3
SCHEMBL12371797 0.84 ALDH1A1 (0.43) PRKCQADORA3ALDH1A1CYP1A2CYP3A4
SCHEMBL12371778 0.84 HDAC3 (0.41) SIK2SIK1SIK3FGFR1EGFR
SCHEMBL2270517 0.83 JAK2 (0.47) PAK1SIK2SIK1SIK3FGFR1
SCHEMBL12371668 0.83 JAK2 (0.45) PRKCQPAK1FGFR1EGFRADORA3
SCHEMBL13608336 0.83 PIK3CD (0.42) PRKCQPAK1SIK2SIK1SIK3

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 3 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
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

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 PRKCQ 3/4885PAK1 150/4885SIK2 671/4885

“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.