SCHEMBL12371689

SCHEMBL12371689

O=c1[nH]c2cnc(NCC3CCNC3)nc2n1Cc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.47
MAOB P27338 2/20 0.47
KDM1A O60341 1/20 0.42
USP1 O94782 6/20 0.40
ADORA3 P0DMS8 1/20 0.39
PRKCQ Q04759 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
PDE9A O76083 2/20 0.39
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
OPRM1 P35372 1/20 0.38
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38

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
SCHEMBL13608158 0.95 MAOB (0.43) HTR6MAOBKDM1AUSP1ADORA3
SCHEMBL12371708 0.95 PRKCQ (0.42) HTR6MAOBUSP1ADORA3PRKCQ
SCHEMBL13608345 0.92 KDM1A (0.42) HTR6MAOBKDM1AUSP1ADORA3
SCHEMBL13608410 0.91 HTR6 (0.43) HTR6MAOBKDM1APRKCQPDE9A
SCHEMBL13608434 0.91 KDM1A (0.45) HTR6MAOBKDM1AUSP1ADORA3
SCHEMBL13608387 0.91 ADORA3 (0.48) HTR6MAOBKDM1AUSP1ADORA3
SCHEMBL13608168 0.91 KDM1A (0.43) HTR6MAOBKDM1AUSP1ADORA3
SCHEMBL3845143 0.90 BRD4 (0.40) HTR6MAOBKDM1AUSP1ADORA3
SCHEMBL13608417 0.90 KDM1A (0.44) HTR6MAOBKDM1AUSP1ADORA3
SCHEMBL13608235 0.90 PRKCQ (0.40) HTR6MAOBKDM1AUSP1ADORA3

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 HTR6 2702/4885MAOB 2855/4885KDM1A 1218/4885

“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.