SCHEMBL13620077

SCHEMBL13620077

O=c1[nH]c2cnc(NC[C@H]3CCCNC3)nc2n1Cc1ccccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.42
BRD4 O60885 2/20 0.41
DPP4 P27487 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
ACP1 P24666 1/20 0.38
CHEK1 O14757 3/20 0.38
USP1 O94782 5/20 0.37
HSD17B13 Q7Z5P4 1/20 0.37
CDK4 P11802 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
ATAD2 Q6PL18 1/20 0.35
ADRA2A P08913 1/20 0.35
NPY5R Q15761 1/20 0.35
MCHR1 Q99705 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
SCHEMBL13620428 1.00 PRKCQ (0.42) PRKCQBRD4DPP4ADORA2AADORA1
SCHEMBL12371661 0.95 PRKCQ (0.43) PRKCQBRD4DPP4ADORA2AADORA1
SCHEMBL12371645 0.95 PRKCQ (0.43) PRKCQBRD4DPP4ADORA2AADORA1
SCHEMBL12371632 0.95 PRKCQ (0.43) PRKCQBRD4DPP4ADORA2AADORA1
SCHEMBL13620400 0.90 PRKCQ (0.46) PRKCQBRD4DPP4ADORA2AADORA1
SCHEMBL12371611 0.90 BRD4 (0.39) PRKCQBRD4DPP4ADORA2AADORA1
SCHEMBL12371683 0.88 CHEK1 (0.42) PRKCQBRD4DPP4ADORA2ACHEK1
SCHEMBL12371680 0.88 CHEK1 (0.42) PRKCQBRD4DPP4ADORA2ACHEK1
SCHEMBL13620042 0.86 PRKCQ (0.49) PRKCQBRD4DPP4ADORA2AADORA1
SCHEMBL3845553 0.86 TRIM58 (0.40) PRKCQBRD4ADORA2AADORA1USP1

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 PRKCQ 3/4885BRD4 1920/4885DPP4 3354/4885

“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.