SCHEMBL12371649

SCHEMBL12371649

NCCCNc1ncc2[nH]c(=O)n(Cc3cc(Cl)ccc3Cl)c2n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.42
HSP90B1 P14625 2/20 0.42
TRAP1 Q12931 2/20 0.42
SIK1 P57059 2/20 0.41
SIK2 Q9H0K1 2/20 0.41
SIK3 Q9Y2K2 2/20 0.41
STK17A Q9UEE5 7/20 0.39
STK17B O94768 4/20 0.39
TLR7 Q9NYK1 4/20 0.38
IDH1 O75874 1/20 0.37
PRKCQ Q04759 2/20 0.36
ADORA3 P0DMS8 1/20 0.36
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 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
SCHEMBL13608311 0.97 SIK2 (0.42) HSP90AA1HSP90B1TRAP1SIK1SIK2
SCHEMBL13608329 0.92 HSP90AA1 (0.52) HSP90AA1HSP90B1TRAP1SIK1SIK2
SCHEMBL13608414 0.92 HSP90AA1 (0.40) HSP90AA1HSP90B1TRAP1SIK1SIK2
SCHEMBL13608280 0.91 HSP90AA1 (0.41) HSP90AA1HSP90B1TRAP1SIK1SIK2
SCHEMBL13608502 0.91 TLR7 (0.44) HSP90AA1HSP90B1TRAP1SIK1SIK2
SCHEMBL13608317 0.91 JAK2 (0.43) HSP90AA1HSP90B1TRAP1SIK1SIK2
SCHEMBL12371660 0.88 PRKCQ (0.46) SIK1SIK2SIK3TLR7PRKCQ
SCHEMBL13620239 0.88 TRAP1 (0.54) HSP90AA1HSP90B1TRAP1SIK1SIK2
SCHEMBL13608298 0.88 HSP90AA1 (0.41) HSP90AA1HSP90B1TRAP1SIK1SIK2
SCHEMBL13620235 0.87 HSP90AA1 (0.41) HSP90AA1HSP90B1TRAP1SIK1SIK2

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 HSP90AA1 2984/4885HSP90B1 2095/4885TRAP1 1772/4885

“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.