SCHEMBL12371668

SCHEMBL12371668

NCCCNc1ncc2[nH]c(=O)n(Cc3cccc(Cl)c3F)c2n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.45
JAK3 P52333 5/20 0.45
PCSK9 Q8NBP7 1/20 0.40
EGFR P00533 1/20 0.38
FGFR1 P11362 1/20 0.38
USP1 O94782 5/20 0.38
PRKCQ Q04759 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
TLR7 Q9NYK1 2/20 0.37
STK17B O94768 1/20 0.36
STK17A Q9UEE5 1/20 0.36
PAK1 Q13153 1/20 0.35

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
SCHEMBL12371691 0.92 JAK2 (0.54) JAK2JAK3USP1PRKCQADORA3
SCHEMBL12371654 0.91 JAK2 (0.39) JAK2JAK3EGFRFGFR1USP1
SCHEMBL12371660 0.91 PRKCQ (0.46) JAK2JAK3EGFRFGFR1USP1
SCHEMBL12371651 0.90 JAK2 (0.45) JAK2JAK3EGFRFGFR1USP1
SCHEMBL13608336 0.89 PIK3CD (0.42) JAK2JAK3EGFRFGFR1USP1
SCHEMBL13608353 0.88 PRKCQ (0.42) JAK2JAK3EGFRFGFR1USP1
SCHEMBL12371727 0.88 PRKCQ (0.49) JAK2JAK3EGFRFGFR1USP1
SCHEMBL2270517 0.88 JAK2 (0.47) JAK2JAK3EGFRFGFR1USP1
SCHEMBL12371703 0.88 JAK2 (0.44) JAK2JAK3USP1ADORA3ADORA2A
SCHEMBL13608238 0.87 JAK2 (0.45) JAK2JAK3EGFRFGFR1USP1

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 JAK2 735/4885JAK3 719/4885PCSK9 4188/4885

“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.