SCHEMBL12371706

SCHEMBL12371706

CN1CCC(CNc2ncc3[nH]c(=O)n(Cc4ccccc4Cl)c3n2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
THRB P10828 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
DPP4 P27487 5/20 0.42
USP1 O94782 3/20 0.42
MAP4K1 Q92918 1/20 0.40
CYP3A4 P08684 3/20 0.40
CYP2C9 P11712 3/20 0.40
PRKCQ Q04759 3/20 0.40
ADORA3 P0DMS8 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
CYP2D6 P10635 2/20 0.39
DCLK1 O15075 1/20 0.39
MAP4K4 O95819 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
SCHEMBL13608338 0.90 TYRO3 (0.41) DPP4USP1PRKCQCDK2CSNK1D
SCHEMBL12371747 0.88 DPP4 (0.40) DPP4USP1
SCHEMBL12371803 0.87 DPP4 (0.44) DPP4USP1MAP4K1PRKCQADORA2A
SCHEMBL12371719 0.87 JAK2 (0.39) USP1ADORA3ADORA2AADORA1
SCHEMBL12371700 0.86 CYP2C9 (0.54) ALDH1A1TSHRHSD17B10GAAHTT
SCHEMBL12371664 0.85 PRKCQ (0.48) ALDH1A1TSHRHSD17B10GAAHTT
SCHEMBL12371635 0.85 PRKCQ (0.48) ALDH1A1TSHRHSD17B10GAAHTT
SCHEMBL12371647 0.85 PRKCQ (0.48) ALDH1A1TSHRHSD17B10GAAHTT
SCHEMBL12371766 0.85 ADORA2A (0.50) ALDH1A1TSHRHSD17B10THRBGAA
SCHEMBL12371697 0.83 PRKCQ (0.43) ALDH1A1USP1CYP3A4CYP2C9PRKCQ

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 ALDH1A1 2893/4885TSHR 3678/4885HSD17B10 3616/4885

“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.