SCHEMBL12371627

SCHEMBL12371627

CC(C)(C)OC(=O)C[C@@H](CCN)CNc1ccc2[nH]c(=O)n(Cc3c(Cl)cccc3Cl)c2n1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.42
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32
USP1 O94782 3/20 0.32
P2RX7 Q99572 2/20 0.32
CCR4 P51679 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
TLR7 Q9NYK1 3/20 0.31
TRAP1 Q12931 1/20 0.30
PARP1 P09874 2/20 0.30
PARP2 Q9UGN5 2/20 0.30

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
SCHEMBL2273195 0.76 CCNT1 (0.51) BIRC2JAK2JAK3PARP1PARP2
SCHEMBL2273192 0.76 CCNT1 (0.51) BIRC2JAK2JAK3PARP1PARP2
SCHEMBL12371690 0.76 BIRC2 (0.42) BIRC2JAK2JAK3USP1TLR7
SCHEMBL12371626 0.73 MAPT (0.40) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL2276730 0.68 BIRC2 (0.42) BIRC2JAK2JAK3USP1POLB
SCHEMBL14025152 0.68 JAK2 (0.46) BIRC2JAK2JAK3USP1TLR7
SCHEMBL12371622 0.67 STK17B (0.46) JAK2JAK3USP1TLR7
SCHEMBL2269372 0.66 BIRC2 (0.39) BIRC2JAK2JAK3USP1
SCHEMBL2274339 0.66 BIRC2 (0.39) BIRC2JAK2JAK3USP1
SCHEMBL12371753 0.66 BIRC2 (0.44) BIRC2POLBMAPK1TLR7

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 BIRC2 3863/4885JAK2 735/4885JAK3 719/4885

“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.