SCHEMBL12371769

SCHEMBL12371769

Cc1cccc(Cl)c1Cn1c(=O)[nH]c2cnc(NCCC3CCCN3C)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
NMT1 P30419 2/20 0.38
USP1 O94782 5/20 0.37
LCK P06239 1/20 0.37
SLC2A1 P11166 1/20 0.36
ACP1 P24666 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
CAMK2D Q13557 1/20 0.35
GFER P55789 1/20 0.35
MITF O75030 1/20 0.35
RAD52 P43351 1/20 0.35
EGFR P00533 1/20 0.34
FGFR1 P11362 1/20 0.34
SRC P12931 1/20 0.34
FGFR2 P21802 1/20 0.34

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 0.88 CACNA1G (0.44) NMT1USP1ACP1ADORA3
SCHEMBL12371791 0.81 HTR3A (0.41) JAK2JAK3NMT1USP1RAD52
SCHEMBL12371719 0.81 JAK2 (0.39) JAK2JAK3USP1ADORA3HRH4
SCHEMBL12371732 0.81 ADORA2A (0.42) JAK2JAK3NMT1USP1ADORA3
SCHEMBL12371800 0.78 BRD4 (0.42) JAK2JAK3USP1ADORA3
SCHEMBL12397531 0.78 KDM1A (0.43) JAK2JAK3USP1ADORA3
SCHEMBL12371751 0.75 JAK2 (0.40) JAK2JAK3USP1ADORA3SRC
SCHEMBL13608364 0.75 JAK2 (0.46) JAK2JAK3NMT1USP1ADORA3
SCHEMBL2270517 0.74 JAK2 (0.47) JAK2JAK3USP1ADORA3EGFR
SCHEMBL13608332 0.73 JAK2 (0.46) JAK2JAK3USP1ADORA3EGFR

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 719/4885NMT1 2247/4885

“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.