Sugi Predict

Sugi Predict / Compounds / SCHEMBL12371731

SCHEMBL12371731

SCHEMBL12371731

CN(C)CCNc1ncc2[nH]c(=O)n(Cc3ccccc3Cl)c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP1 O94782 9/20 0.44
▸ ALDH1A1 P00352 6/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ POLB P06746 1/20 0.40
▸ TLR7 Q9NYK1 2/20 0.40
▸ USP2 O75604 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2C9 P11712 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CYP3A4 P08684 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
SCHEMBL12371720 0.94 TLR7 (0.43) USP1ALDH1A1ADORA3MAPTSMN1; SMN2
SCHEMBL13608375 0.92 USP1 (0.41) USP1ADORA3TLR7ADORA2AADORA1
SCHEMBL13608397 0.89 ADORA3 (0.44) USP1ADORA3TLR7ADORA2AADORA1
SCHEMBL13608364 0.89 JAK2 (0.46) USP1ADORA3TLR7ADORA2AADORA1
SCHEMBL13608396 0.89 ALDH1A1 (0.39) USP1ALDH1A1ADORA3POLBTLR7
SCHEMBL12371755 0.88 ADORA2A (0.46) USP1ALDH1A1ADORA3TLR7MEN1
SCHEMBL12371797 0.87 ALDH1A1 (0.43) USP1ALDH1A1ADORA3MAPTSMN1; SMN2
SCHEMBL12371732 0.86 ADORA2A (0.42) USP1ADORA3TLR7ADORA2AADORA1
SCHEMBL13620291 0.86 USP1 (0.41) USP1ADORA3TLR7ADORA2AADORA1
SCHEMBL12371660 0.85 PRKCQ (0.46) 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 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 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.