SCHEMBL12371666

SCHEMBL12371666

NCCCNc1ncc2[nH]c(=O)n(Cc3c(F)cccc3C(F)(F)F)c2n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.44
JAK3 P52333 3/20 0.44
MAP4K1 Q92918 1/20 0.40
ADORA2A P29274 6/20 0.40
ADORA1 P30542 6/20 0.40
STK17A Q9UEE5 3/20 0.38
STK17B O94768 1/20 0.38
SYK P43405 1/20 0.38
CHEK1 O14757 3/20 0.38
FLT3 P36888 3/20 0.38
USP1 O94782 1/20 0.37

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
SCHEMBL13620251 0.97 JAK2 (0.43) JAK2JAK3MAP4K1ADORA2AADORA1
SCHEMBL12371665 0.92 JAK2 (0.51) JAK2JAK3ADORA2AADORA1USP1
SCHEMBL13620074 0.88 ADORA2A (0.50) JAK2JAK3MAP4K1ADORA2AADORA1
SCHEMBL12371651 0.87 JAK2 (0.45) JAK2JAK3ADORA2AADORA1USP1
SCHEMBL12371672 0.87 ADORA2A (0.43) JAK2JAK3MAP4K1ADORA2ASTK17A
SCHEMBL13620430 0.86 QPCT (0.43) JAK2JAK3
SCHEMBL13608238 0.84 JAK2 (0.45) JAK2JAK3ADORA2AADORA1USP1
SCHEMBL12371691 0.83 JAK2 (0.54) JAK2JAK3ADORA2AADORA1USP1
SCHEMBL12371662 0.83 JAK2 (0.41) JAK2JAK3ADORA2AADORA1STK17A
SCHEMBL12371669 0.83 JAK2 (0.42) JAK2JAK3MAP4K1STK17ASTK17B

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 JAK2 735/4885JAK3 719/4885MAP4K1 122/4885

“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.