SCHEMBL12371797

SCHEMBL12371797

NCCNc1ncc2[nH]c(=O)n(Cc3ccccc3Cl)c2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
ADORA3 P0DMS8 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TLR7 Q9NYK1 1/20 0.41
USP2 O75604 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
LMNA P02545 2/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
USP1 O94782 4/20 0.41
PRKCQ Q04759 2/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
CYP3A4 P08684 2/20 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
SCHEMBL12371660 0.94 PRKCQ (0.46) ALDH1A1ADORA3MAPTSMN1; SMN2TLR7
SCHEMBL12371727 0.93 PRKCQ (0.49) ALDH1A1ADORA3MAPTSMN1; SMN2TLR7
SCHEMBL12371726 0.87 USP1 (0.44) ALDH1A1ADORA3MAPTSMN1; SMN2TLR7
SCHEMBL12371731 0.87 USP1 (0.44) ALDH1A1ADORA3MAPTSMN1; SMN2TLR7
SCHEMBL12371654 0.86 JAK2 (0.39) ADORA3TLR7USP1PRKCQJAK2
SCHEMBL13608353 0.85 PRKCQ (0.42) ADORA3TLR7USP1PRKCQJAK2
SCHEMBL12371717 0.85 ALDH1A1 (0.41) ALDH1A1ADORA3MAPTSMN1; SMN2TLR7
SCHEMBL12371743 0.85 ALDH1A1 (0.42) ALDH1A1ADORA3MAPTSMN1; SMN2TLR7
SCHEMBL12371720 0.85 TLR7 (0.43) ALDH1A1ADORA3MAPTSMN1; SMN2TLR7
SCHEMBL12371668 0.84 JAK2 (0.45) ADORA3TLR7USP1PRKCQJAK2

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 ALDH1A1 2893/4885ADORA3 1163/4885MAPT 3602/4885

“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.