SCHEMBL12371661

SCHEMBL12371661

O=c1[nH]c2cnc(NC[C@H]3CCNC3)nc2n1Cc1ccccc1OC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.43
BRD4 O60885 1/20 0.42
ADORA2A P29274 3/20 0.40
ADORA1 P30542 2/20 0.40
DPP4 P27487 1/20 0.40
USP1 O94782 3/20 0.38
HSD17B13 Q7Z5P4 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MTOR P42345 1/20 0.37
KDM1A O60341 1/20 0.36
MCHR1 Q99705 2/20 0.36
CHEK1 O14757 1/20 0.36
ADRA2A P08913 1/20 0.36
NPY5R Q15761 1/20 0.36
CYP2C9 P11712 1/20 0.35

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
SCHEMBL12371632 1.00 PRKCQ (0.43) PRKCQBRD4ADORA2AADORA1DPP4
SCHEMBL12371645 1.00 PRKCQ (0.43) PRKCQBRD4ADORA2AADORA1DPP4
SCHEMBL13620077 0.95 PRKCQ (0.42) PRKCQBRD4ADORA2AADORA1DPP4
SCHEMBL13620428 0.95 PRKCQ (0.42) PRKCQBRD4ADORA2AADORA1DPP4
SCHEMBL13620400 0.95 PRKCQ (0.46) PRKCQBRD4ADORA2AADORA1DPP4
SCHEMBL12371611 0.94 BRD4 (0.39) PRKCQBRD4ADORA2AADORA1DPP4
SCHEMBL3845548 0.90 TRIM58 (0.40) PRKCQBRD4ADORA2AADORA1USP1
SCHEMBL3845553 0.90 TRIM58 (0.40) PRKCQBRD4ADORA2AADORA1USP1
SCHEMBL13608325 0.89 MTOR (0.47) PRKCQADORA2AADORA1USP1MTOR
SCHEMBL12371670 0.89 MTOR (0.47) PRKCQADORA2AADORA1USP1MTOR

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 PRKCQ 3/4885BRD4 1476/4885ADORA2A 995/4885

“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.