SCHEMBL2270517

SCHEMBL2270517

NCCCNc1ncc2[nH]c(=O)n(Cc3c(Cl)cccc3Cl)c2n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.47
JAK3 P52333 3/20 0.47
FGFR1 P11362 7/20 0.41
EGFR P00533 6/20 0.41
ADORA3 P0DMS8 1/20 0.40
USP1 O94782 2/20 0.40
TLR7 Q9NYK1 4/20 0.39
PAK1 Q13153 1/20 0.38
SRC P12931 3/20 0.38
FGFR2 P21802 2/20 0.38
FGFR4 P22455 2/20 0.38
FGFR3 P22607 2/20 0.38
SIK2 Q9H0K1 2/20 0.38
SIK1 P57059 1/20 0.38
SIK3 Q9Y2K2 1/20 0.38
STK26 Q9P289 1/20 0.37
STK24 Q9Y6E0 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
SCHEMBL13608332 0.97 JAK2 (0.46) JAK2JAK3FGFR1EGFRADORA3
SCHEMBL12371651 0.94 JAK2 (0.45) JAK2JAK3FGFR1EGFRADORA3
SCHEMBL13608238 0.91 JAK2 (0.45) JAK2JAK3FGFR1EGFRADORA3
SCHEMBL13620380 0.91 JAK2 (0.47) JAK2JAK3FGFR1EGFRADORA3
SCHEMBL12371654 0.89 JAK2 (0.39) JAK2JAK3FGFR1EGFRADORA3
SCHEMBL12371660 0.89 PRKCQ (0.46) JAK2JAK3FGFR1EGFRADORA3
SCHEMBL12371665 0.89 JAK2 (0.51) JAK2JAK3USP1TLR7
SCHEMBL13608336 0.88 PIK3CD (0.42) JAK2JAK3FGFR1EGFRADORA3
SCHEMBL12371668 0.88 JAK2 (0.45) JAK2JAK3FGFR1EGFRADORA3
SCHEMBL12371765 0.87 ADORA3 (0.53) ADORA3USP1TLR7

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 11 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-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
EP-2152708-A1 PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS Pharmacopeia, LLC (US) 2010-02-17 EP disclosed
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 US disclosed
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 US disclosed
WO-2008143674-A1 PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2008-11-27 WO 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
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 (2 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 719/4885FGFR1 4175/4885
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PRKCE, PRKCZ, PRKCQ JAK2 1072/4885JAK3 1062/4885FGFR1 4064/4885

“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.