SCHEMBL12371722

SCHEMBL12371722

O=c1[nH]c2cnc(NCC3CCNCC3)nc2n1-c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
PRKCQ Q04759 3/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CNR2 P34972 1/20 0.41
DRD2 P14416 1/20 0.41
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
CHRM1 P11229 4/20 0.37
BRD4 O60885 1/20 0.37
ATAD2 Q6PL18 1/20 0.37
PIM1 P11309 1/20 0.37
FLT3 P36888 1/20 0.37
KCNH2 Q12809 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
KDM1A O60341 1/20 0.37
HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL12371704 0.94 KDM1A (0.44) GSK3BPRKCQCYP3A4CYP2C9ADORA2A
SCHEMBL12371708 0.85 PRKCQ (0.42) PRKCQCYP3A4CYP2C9CNR2DRD2
SCHEMBL13608156 0.82 ADORA2A (0.43) GSK3BADORA2AADORA1CHRM1BRD4
SCHEMBL12371689 0.80 HTR6 (0.47) PRKCQBRD4ATAD2KDM1APDE9A
SCHEMBL12371699 0.79 JAK2 (0.46) PRKCQCYP3A4CYP2C9ADORA2AADORA1
SCHEMBL13608410 0.79 HTR6 (0.43) PRKCQCYP3A4CYP2C9BRD4ATAD2
SCHEMBL12371740 0.79 GSK3B (0.45) GSK3BADORA2AADORA1KDM4EGAA
SCHEMBL12371760 0.79 GSK3B (0.45) GSK3BPRKCQADORA2AADORA1KDM4E
SCHEMBL14569245 0.78 ADORA2A (0.54) ADORA2AADORA1JAK2JAK1JAK3
SCHEMBL13608158 0.77 MAOB (0.43) KDM1A

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 GSK3B 310/4885PRKCQ 3/4885CYP3A4 2523/4885

“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.