SCHEMBL2276730

SCHEMBL2276730

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.42
CCNT1 O60563 4/20 0.38
CDK9 P50750 2/20 0.38
PRMT5 O14744 1/20 0.37
USP1 O94782 2/20 0.36
MAPK10 P53779 1/20 0.35
HSD17B10 Q99714 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
FAAH O00519 1/20 0.35
ACHE P22303 1/20 0.35
SPR P35270 2/20 0.34
GRIN2B Q13224 1/20 0.34
USP2 O75604 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL2273192 0.89 CCNT1 (0.51) BIRC2CCNT1CDK9PRMT5JAK2
SCHEMBL2273195 0.89 CCNT1 (0.51) BIRC2CCNT1CDK9PRMT5JAK2
SCHEMBL2274339 0.81 BIRC2 (0.39) BIRC2CCNT1CDK9PRMT5USP1
SCHEMBL2269378 0.81 BIRC2 (0.39) BIRC2CCNT1CDK9PRMT5USP1
SCHEMBL2269372 0.81 BIRC2 (0.39) BIRC2CCNT1CDK9PRMT5USP1
SCHEMBL12371690 0.73 BIRC2 (0.42) BIRC2CCNT1USP1JAK2JAK3
SCHEMBL3851160 0.72 ADORA3 (0.38) USP1GRIN2B
SCHEMBL2271312 0.72 MAPT (0.40) FAAHACHEMAPTPOLB
SCHEMBL2271300 0.72 MAPT (0.40) FAAHACHEMAPTPOLB
SCHEMBL3844922 0.72 GRIN2B (0.41) USP1GRIN2B

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 3863/4885CCNT1 2232/4885CDK9 386/4885

“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.