SCHEMBL2273192

SCHEMBL2273192

CC(C)(C)OC(=O)N1CCC(CNc2ccc3[nH]c(=O)n(Cc4c(Cl)cccc4Cl)c3n2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.51
CDK9 P50750 1/20 0.51
PRMT5 O14744 1/20 0.47
PARP1 P09874 5/20 0.46
PARP2 Q9UGN5 4/20 0.46
HTR6 P50406 3/20 0.44
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
JAK2 O60674 1/20 0.41
JAK3 P52333 1/20 0.41
PTK2 Q05397 1/20 0.41
BRD4 O60885 2/20 0.41
BRD3 Q15059 1/20 0.40
STS P08842 1/20 0.39
ACKR3 P25106 1/20 0.39
BIRC2 Q13490 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
BUB1 O43683 1/20 0.38
BCHE P06276 1/20 0.38

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 1.00 CCNT1 (0.51) CCNT1CDK9PRMT5PARP1PARP2
SCHEMBL2276730 0.89 BIRC2 (0.42) CCNT1CDK9PRMT5JAK2JAK3
SCHEMBL13608018 0.78 PARP1 (0.50) CCNT1CDK9PRMT5PARP1PARP2
SCHEMBL2274339 0.77 BIRC2 (0.39) CCNT1CDK9PRMT5HTR6JAK2
SCHEMBL2269378 0.77 BIRC2 (0.39) CCNT1CDK9PRMT5HTR6JAK2
SCHEMBL12371627 0.76 BIRC2 (0.42) PARP1PARP2JAK2JAK3BIRC2
SCHEMBL13608068 0.75 PARP1 (0.46) CCNT1CDK9PRMT5PARP1PARP2
SCHEMBL13608042 0.75 IDO1 (0.48) CCNT1CDK9PRMT5PARP1PARP2
SCHEMBL13608050 0.75 PARP1 (0.46) CCNT1CDK9PRMT5PARP1PARP2
SCHEMBL2269805 0.75 CCNT1 (0.47) CCNT1CDK9PRMT5HTR6IDO1

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
EP-2152708-A1 PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS Pharmacopeia, LLC (US) 2010-02-17 EP 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 CCNT1 2232/4885CDK9 386/4885PRMT5 134/4885

“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.