SCHEMBL12371626

SCHEMBL12371626

CC(C)(C)OC(=O)C[C@@H](CCN)CNc1ccc([N+](=O)[O-])c(NCc2c(Cl)cccc2Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
PRKCQ Q04759 8/20 0.35
POLB P06746 2/20 0.34
SIRT5 Q9NXA8 2/20 0.34
FOLH1 Q04609 1/20 0.32
MAPK1 P28482 1/20 0.32
ATM Q13315 1/20 0.32
CDK2 P24941 2/20 0.32
CDK5 Q00535 2/20 0.32
CCNA2 P20248 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5R1 Q15078 1/20 0.32
HTT P42858 1/20 0.32
DCLK1 O15075 1/20 0.31
MAP4K4 O95819 1/20 0.31
CDK1 P06493 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
PIM1 P11309 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL2269808 0.74 CCNT1 (0.47) MAPTPRKCQCYP3A4CYP2D6CYP2C9
SCHEMBL2269805 0.74 CCNT1 (0.47) MAPTPRKCQCYP3A4CYP2D6CYP2C9
SCHEMBL2272150 0.68 MAPT (0.60) MAPTPRKCQPOLBMAPK1CDK2
SCHEMBL2271300 0.66 MAPT (0.40) MAPTPRKCQPOLBSIRT5CDK2
SCHEMBL2271312 0.66 MAPT (0.40) MAPTPRKCQPOLBSIRT5CDK2
SCHEMBL12371621 0.66 STK17A (0.51) PRKCQSIRT5CDK2CDK5DCLK1
SCHEMBL19717777 0.64 POLB (0.49) MAPTPOLBMAPK1ATMHTT
SCHEMBL1181351 0.63 MAPT (0.48) MAPTSIRT5CYP3A4CYP2D6CYP2C9
SCHEMBL27993161 0.63 PGK1 (0.45) MAPTPOLBCYP3A4CYP2D6CYP2C9
SCHEMBL13734099 0.63 MAPT (0.40) MAPTPRKCQSIRT5CDK5CDK5R1

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 MAPT 3602/4885PRKCQ 3/4885POLB 882/4885

“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.