SCHEMBL12371660

SCHEMBL12371660

NCCCNc1ncc2[nH]c(=O)n(Cc3ccccc3Cl)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 2/20 0.46
ALDH1A1 P00352 3/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.41
TLR7 Q9NYK1 3/20 0.40
USP1 O94782 3/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
PAK1 Q13153 1/20 0.39
SIK1 P57059 1/20 0.39
SIK2 Q9H0K1 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
SCHEMBL12371727 0.97 PRKCQ (0.49) PRKCQALDH1A1ADORA3MAPTSMN1; SMN2
SCHEMBL12371797 0.94 ALDH1A1 (0.43) PRKCQALDH1A1ADORA3MAPTSMN1; SMN2
SCHEMBL12371654 0.92 JAK2 (0.39) PRKCQADORA3TLR7USP1PAK1
SCHEMBL13608336 0.91 PIK3CD (0.42) PRKCQADORA3TLR7USP1PAK1
SCHEMBL12371668 0.91 JAK2 (0.45) PRKCQADORA3TLR7USP1PAK1
SCHEMBL12371772 0.90 PRKCQ (0.42) PRKCQALDH1A1ADORA3USP2CYP1A2
SCHEMBL13608353 0.89 PRKCQ (0.42) PRKCQADORA3TLR7USP1PAK1
SCHEMBL2270517 0.89 JAK2 (0.47) ADORA3TLR7USP1PAK1SIK1
SCHEMBL12371703 0.89 JAK2 (0.44) ALDH1A1ADORA3MAPTMEN1KMT2A
SCHEMBL12371765 0.89 ADORA3 (0.53) ALDH1A1ADORA3SMN1; SMN2TLR7USP1

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 PRKCQ 3/4885ALDH1A1 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.