SCHEMBL12371778

SCHEMBL12371778

NCCCNc1ncc2[nH]c(=O)n(CCc3cccc(Cl)c3)c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
DAO P14920 1/20 0.40
SIK2 Q9H0K1 3/20 0.39
STK26 Q9P289 2/20 0.39
STK24 Q9Y6E0 2/20 0.39
STK4 Q13043 1/20 0.39
STK3 Q13188 1/20 0.39
FGFR1 P11362 4/20 0.39
FGFR2 P21802 1/20 0.39
FGFR4 P22455 1/20 0.39
FGFR3 P22607 1/20 0.39
KDR P35968 1/20 0.39
IDH1 O75874 1/20 0.39
EGFR P00533 3/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL12371709 0.90 ADORA3 (0.43) IDH1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL12371809 0.89 STK17A (0.40) SIK2STK26STK24STK4STK3
SCHEMBL12371729 0.89 ADORA3 (0.43) IDH1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL12371772 0.84 PRKCQ (0.42) HDAC3HDAC1HDAC2HDAC6DAO
SCHEMBL13608411 0.83 TLR7 (0.42)
SCHEMBL12371740 0.82 GSK3B (0.45) FGFR1IDH1EGFRALDH1A1HPGD
SCHEMBL13608416 0.82 TLR7 (0.47)
SCHEMBL12371765 0.82 ADORA3 (0.53) ALDH1A1HPGD
SCHEMBL12371760 0.81 GSK3B (0.45) SIK2FGFR1IDH1EGFRALDH1A1
SCHEMBL2270517 0.81 JAK2 (0.47) SIK2STK26STK24FGFR1FGFR2

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 HDAC3 1884/4885HDAC1 1665/4885HDAC2 1225/4885

“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.