SCHEMBL12371795

SCHEMBL12371795

CN(C)CCCNc1ncc2[nH]c(=O)n(Cc3ccc(F)cc3Cl)c2n1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NMT2 O60551 1/20 0.42
NMT1 P30419 1/20 0.42
TLR7 Q9NYK1 4/20 0.41
JAK2 O60674 2/20 0.40
JAK3 P52333 2/20 0.40
USP1 O94782 1/20 0.40
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CCR4 P51679 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
EGFR P00533 1/20 0.38
FGFR1 P11362 1/20 0.38
SRC P12931 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR4 P22455 1/20 0.38
FGFR3 P22607 1/20 0.38
P2RX7 Q99572 1/20 0.38
POLB P06746 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
SCHEMBL12371720 0.87 TLR7 (0.43) TLR7USP1MAPK1EGFRFGFR1
SCHEMBL12371762 0.84 TLR7 (0.43) TLR7JAK2JAK3USP1ADORA2A
SCHEMBL12371731 0.82 USP1 (0.44) TLR7USP1MAPK1ADORA2AADORA1
SCHEMBL13608317 0.81 JAK2 (0.43) TLR7JAK2JAK3MAPK1
SCHEMBL13608396 0.80 ALDH1A1 (0.39) NMT2NMT1TLR7USP1ADORA2A
SCHEMBL13608414 0.79 HSP90AA1 (0.40) TLR7USP1MAPK1NPSR1POLB
SCHEMBL13608375 0.78 USP1 (0.41) NMT2NMT1TLR7JAK2JAK3
SCHEMBL12371747 0.78 DPP4 (0.40) JAK2JAK3USP1MAPK1NPSR1
SCHEMBL12371713 0.78 JAK2 (0.45) TLR7JAK2JAK3USP1MAPK1
SCHEMBL12371755 0.78 ADORA2A (0.46) NMT2NMT1TLR7JAK2JAK3

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 NMT2 2851/4885NMT1 2247/4885TLR7 4054/4885

“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.