SCHEMBL12371809

SCHEMBL12371809

NCCCNc1ncc2[nH]c(=O)n(CCc3ccc(Cl)cc3)c2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 10/20 0.40
STK17B O94768 4/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HIF1A Q16665 1/20 0.39
TLR7 Q9NYK1 4/20 0.39
STK4 Q13043 1/20 0.39
STK3 Q13188 1/20 0.39
SIK2 Q9H0K1 1/20 0.39
STK26 Q9P289 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
SCHEMBL13608416 0.91 TLR7 (0.47) STK17ASTK17BTLR7LMNAHTT
SCHEMBL12371778 0.89 HDAC3 (0.41) ALDH1A1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL12371772 0.84 PRKCQ (0.42) ALDH1A1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL12371765 0.82 ADORA3 (0.53) ALDH1A1HPGDTLR7
SCHEMBL13608411 0.82 TLR7 (0.42) STK17ATLR7
SCHEMBL12371709 0.81 ADORA3 (0.43) ALDH1A1CYP1A2CYP3A4CYP2C19HSD17B10
SCHEMBL12371649 0.80 HSP90AA1 (0.42) STK17ASTK17BTLR7SIK2IDH1
SCHEMBL13608329 0.80 HSP90AA1 (0.52) STK17ASTK17BTLR7SIK2IDH1
SCHEMBL13608414 0.80 HSP90AA1 (0.40) STK17ASTK17BALDH1A1MAPK1HIF1A
SCHEMBL12399676 0.80 ALDH1A1 (0.36) ALDH1A1CYP1A2CYP3A4CYP2C19HSD17B10

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 5 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
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
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 STK17A 140/4885STK17B 231/4885ALDH1A1 2893/4885

“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.