SCHEMBL12371662

SCHEMBL12371662

NCCCNc1ncc2[nH]c(=O)n(Cc3c(F)ccc(F)c3Cl)c2n1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41
STK17A Q9UEE5 5/20 0.39
TLR7 Q9NYK1 5/20 0.38
STK17B O94768 3/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
HSP90B1 P14625 2/20 0.35
TRAP1 Q12931 2/20 0.35
USP1 O94782 2/20 0.35
HSP90AA1 P07900 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
SCHEMBL12371665 0.89 JAK2 (0.51) JAK2JAK3TLR7ADORA2AADORA1
SCHEMBL12371651 0.89 JAK2 (0.45) JAK2JAK3TLR7ADORA3ADORA2A
SCHEMBL2270517 0.86 JAK2 (0.47) JAK2JAK3TLR7ADORA3USP1
SCHEMBL13608416 0.86 TLR7 (0.47) STK17ATLR7STK17BADORA3USP1
SCHEMBL13608238 0.86 JAK2 (0.45) JAK2JAK3ADORA3ADORA2AADORA1
SCHEMBL13608329 0.85 HSP90AA1 (0.52) JAK2JAK3STK17ATLR7STK17B
SCHEMBL12371659 0.84 TLR7 (0.40) JAK2JAK3STK17ATLR7STK17B
SCHEMBL12371765 0.83 ADORA3 (0.53) TLR7ADORA3USP1
SCHEMBL13608332 0.83 JAK2 (0.46) JAK2JAK3STK17ATLR7STK17B
SCHEMBL12371666 0.83 JAK2 (0.44) JAK2JAK3STK17ASTK17BADORA2A

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 719/4885STK17A 140/4885

“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.