SCHEMBL12371726

SCHEMBL12371726

CC(N)CCNc1ncc2[nH]c(=O)n(Cc3ccccc3Cl)c2n1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP1 O94782 14/20 0.44
ALDH1A1 P00352 3/20 0.42
ADORA3 P0DMS8 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TLR7 Q9NYK1 1/20 0.41
PDE9A O76083 1/20 0.39
HTT P42858 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
SCHEMBL12371797 0.87 ALDH1A1 (0.43) USP1ALDH1A1ADORA3MAPTSMN1; SMN2
SCHEMBL12371660 0.85 PRKCQ (0.46) USP1ALDH1A1ADORA3MAPTSMN1; SMN2
SCHEMBL12371731 0.85 USP1 (0.44) USP1ALDH1A1ADORA3MAPTSMN1; SMN2
SCHEMBL12371727 0.85 PRKCQ (0.49) USP1ALDH1A1ADORA3MAPTSMN1; SMN2
SCHEMBL12371720 0.83 TLR7 (0.43) USP1ALDH1A1ADORA3MAPTSMN1; SMN2
SCHEMBL12371717 0.81 ALDH1A1 (0.41) USP1ALDH1A1ADORA3MAPTSMN1; SMN2
SCHEMBL12371743 0.81 ALDH1A1 (0.42) USP1ALDH1A1ADORA3MAPTSMN1; SMN2
SCHEMBL12371775 0.80 MKNK1 (0.48) USP1ALDH1A1ADORA3MAPTSMN1; SMN2
SCHEMBL13608336 0.79 PIK3CD (0.42) USP1ADORA3TLR7
SCHEMBL12371706 0.78 ALDH1A1 (0.42) USP1ALDH1A1ADORA3MAPTSMN1; SMN2

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 USP1 3620/4885ALDH1A1 2893/4885ADORA3 1163/4885

“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.