SCHEMBL13620382

SCHEMBL13620382

Cc1nc(NC[C@@H]2CCNC2)nc2c1[nH]c(=O)n2Cc1ccccc1C#N

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.42
GRIN1 Q05586 5/20 0.40
GRIN2B Q13224 5/20 0.40
BRD4 O60885 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
KDM1A O60341 1/20 0.38
CYP3A4 P08684 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
SCHEMBL13608204 0.85 KDM1A (0.45) DPP4GRIN1GRIN2BKDM1A
SCHEMBL13608131 0.81 BRD4 (0.41) BRD4ATAD2TLR7KDM1A
SCHEMBL13608172 0.80 BRD4 (0.41) BRD4ATAD2TLR7KDM1A
SCHEMBL13608202 0.76 KDM1A (0.40) DPP4GRIN1GRIN2BBRD4ATAD2
SCHEMBL13608139 0.75 KDM1A (0.44) BRD4ATAD2TLR7KDM1A
SCHEMBL13620417 0.75 KDM1A (0.46) GRIN1GRIN2BBRD4ATAD2KDM1A
SCHEMBL12399644 0.75 BRD4 (0.42) BRD4ATAD2KDM1ACYP3A4
SCHEMBL13608122 0.75 BRD4 (0.42) BRD4ATAD2KDM1ACYP3A4
SCHEMBL13620419 0.75 GRIN1 (0.48) DPP4GRIN1GRIN2B
SCHEMBL13620050 0.72 KDM1A (0.49) BRD4ATAD2KDM1ACYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 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-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PRKCE, PRKCZ, PRKCQ DPP4 3354/4885GRIN1 554/4885GRIN2B 953/4885

“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.