SCHEMBL12371791

SCHEMBL12371791

CN1CCCC1CCNc1ncc2[nH]c(=O)n(Cc3ccccc3F)c2n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.41
JAK2 O60674 3/20 0.40
JAK3 P52333 3/20 0.40
NMT1 P30419 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
RAD52 P43351 1/20 0.39
USP1 O94782 4/20 0.39
NPC1 O15118 2/20 0.39
DPP4 P27487 1/20 0.39
RAB9A P51151 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
CHRM3 P20309 1/20 0.38
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
MAP4K1 Q92918 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
SCHEMBL12371758 0.90 CACNA1G (0.44) HTR3ANMT1ADORA2AADORA1USP1
SCHEMBL12371769 0.81 JAK2 (0.39) JAK2JAK3NMT1RAD52USP1
SCHEMBL12371770 0.80 JAK2 (0.43) JAK2JAK3ADORA2AADORA1USP1
SCHEMBL12371755 0.80 ADORA2A (0.46) JAK2JAK3NMT1ADORA2AADORA1
SCHEMBL12371703 0.79 JAK2 (0.44) HTR3AJAK2JAK3ADORA2AADORA1
SCHEMBL12371801 0.79 ADORA2A (0.50) JAK2JAK3ADORA2AADORA1USP1
SCHEMBL12371762 0.78 TLR7 (0.43) JAK2JAK3ADORA2AADORA1USP1
SCHEMBL12371698 0.76 JAK2 (0.41) JAK2JAK3ADORA2AADORA1USP1
SCHEMBL12371788 0.75 POLB (0.44) JAK2JAK3
SCHEMBL12371796 0.74 JAK2 (0.42) JAK2JAK3ADORA2AADORA1USP1

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 HTR3A 1285/4885JAK2 735/4885JAK3 719/4885

“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.