SCHEMBL12371725

SCHEMBL12371725

COc1ccccc1Cn1c(=O)[nH]c2cnc(NCC3CCNCC3)nc21

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.49
ADORA2A P29274 11/20 0.46
ADORA1 P30542 8/20 0.46
PRKCQ Q04759 2/20 0.44
PDE9A O76083 2/20 0.42
HTR6 P50406 1/20 0.41
GNAI3 P08754 1/20 0.41
MAP4K1 Q92918 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL13608325 0.95 MTOR (0.47) MTORADORA2AADORA1PRKCQPDE9A
SCHEMBL12371670 0.95 MTOR (0.47) MTORADORA2AADORA1PRKCQPDE9A
SCHEMBL13620400 0.89 PRKCQ (0.46) MTORADORA2AADORA1PRKCQCYP3A4
SCHEMBL12371750 0.88 RIPK2 (0.42) PRKCQCYP3A4CYP2C9
SCHEMBL12371700 0.86 CYP2C9 (0.54) ADORA2AADORA1PRKCQPDE9AHTR6
SCHEMBL12400577 0.86 CYP3A4 (0.41) PRKCQCYP3A4CYP2C9
SCHEMBL12371692 0.86 PRKCQ (0.41) PRKCQCYP3A4CYP2C9
SCHEMBL12371611 0.85 BRD4 (0.39) MTORADORA2AADORA1PRKCQ
SCHEMBL12371687 0.84 PRKCQ (0.44) ADORA2APRKCQCYP3A4CYP2C9
SCHEMBL12371632 0.84 PRKCQ (0.43) MTORADORA2AADORA1PRKCQCYP2C9

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 MTOR 534/4885ADORA2A 995/4885ADORA1 1307/4885

“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.