SCHEMBL12371611

SCHEMBL12371611

CC(F)(F)Oc1ccccc1Cn1c(=O)[nH]c2cnc(NC[C@@H]3CCNC3)nc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.39
USP1 O94782 4/20 0.38
MTOR P42345 1/20 0.38
ADORA2A P29274 6/20 0.38
ADORA1 P30542 4/20 0.38
PRKCQ Q04759 1/20 0.38
DPP4 P27487 1/20 0.36
KDM1A O60341 1/20 0.36
CHEK1 O14757 1/20 0.36
ATAD2 Q6PL18 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CDK4 P11802 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
SCHEMBL12371645 0.94 PRKCQ (0.43) BRD4USP1MTORADORA2AADORA1
SCHEMBL12371632 0.94 PRKCQ (0.43) BRD4USP1MTORADORA2AADORA1
SCHEMBL12371661 0.94 PRKCQ (0.43) BRD4USP1MTORADORA2AADORA1
SCHEMBL13608325 0.90 MTOR (0.47) USP1MTORADORA2AADORA1PRKCQ
SCHEMBL12371670 0.90 MTOR (0.47) USP1MTORADORA2AADORA1PRKCQ
SCHEMBL13620077 0.90 PRKCQ (0.42) BRD4USP1ADORA2AADORA1PRKCQ
SCHEMBL13620428 0.90 PRKCQ (0.42) BRD4USP1ADORA2AADORA1PRKCQ
SCHEMBL13620400 0.90 PRKCQ (0.46) BRD4USP1MTORADORA2AADORA1
SCHEMBL12371641 0.87 CHEK1 (0.41) ADORA2APRKCQDPP4KDM1ACHEK1
SCHEMBL12371650 0.87 CHEK1 (0.41) ADORA2APRKCQDPP4KDM1ACHEK1

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 2 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-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 BRD4 1476/4885USP1 3620/4885MTOR 534/4885

“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.