SCHEMBL12371720

SCHEMBL12371720

CN(C)CCCNc1ncc2[nH]c(=O)n(Cc3ccccc3Cl)c2n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.43
USP1 O94782 5/20 0.43
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
EGFR P00533 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL12371731 0.94 USP1 (0.44) TLR7USP1ALDH1A1ADORA3MAPT
SCHEMBL12371762 0.89 TLR7 (0.43) TLR7USP1ALDH1A1ADORA3
SCHEMBL12371660 0.87 PRKCQ (0.46) TLR7USP1ALDH1A1ADORA3MAPT
SCHEMBL12371795 0.87 NMT2 (0.42) TLR7USP1EGFRFGFR1SRC
SCHEMBL13608375 0.87 USP1 (0.41) TLR7USP1ADORA3EGFRFGFR1
SCHEMBL12371727 0.87 PRKCQ (0.49) TLR7USP1ALDH1A1ADORA3MAPT
SCHEMBL12371797 0.85 ALDH1A1 (0.43) TLR7USP1ALDH1A1ADORA3MAPT
SCHEMBL13608397 0.83 ADORA3 (0.44) TLR7USP1ADORA3
SCHEMBL13608364 0.83 JAK2 (0.46) TLR7USP1ADORA3EGFRFGFR1
SCHEMBL12371726 0.83 USP1 (0.44) TLR7USP1ALDH1A1ADORA3MAPT

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
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
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 TLR7 4054/4885USP1 3620/4885ALDH1A1 2893/4885

“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.