SCHEMBL13620029

SCHEMBL13620029

O=c1[nH]c2cnc(NC[C@@H]3CCNC3)cc2n1Cc1ccccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
HSD17B13 Q7Z5P4 1/20 0.40
DPP4 P27487 1/20 0.40
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
PIM1 P11309 3/20 0.38
PRKCQ Q04759 1/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
PARP1 P09874 3/20 0.35
PARP2 Q9UGN5 3/20 0.35
C5AR1 P21730 1/20 0.35
EPHX2 P34913 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
OPRM1 P35372 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2J2 P51589 1/20 0.35
PLAT P00750 1/20 0.34
FLT3 P36888 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
SCHEMBL13620031 0.90 BRD4 (0.44) BRD4HSD17B13DPP4HTR2CHTR2B
SCHEMBL13620267 0.90 DDR1 (0.40) HSD17B13PIM1
SCHEMBL13608471 0.85 BRD4 (0.42) BRD4HTR2CGRIN1GRIN2BPLAT
SCHEMBL12371632 0.84 PRKCQ (0.43) BRD4HSD17B13DPP4HTR2CHTR2B
SCHEMBL12371661 0.84 PRKCQ (0.43) BRD4HSD17B13DPP4HTR2CHTR2B
SCHEMBL12371645 0.84 PRKCQ (0.43) BRD4HSD17B13DPP4HTR2CHTR2B
SCHEMBL13620277 0.84 PIM1 (0.42) BRD4HSD17B13DPP4HTR2CHTR2B
SCHEMBL13608034 0.83 DPP4 (0.42) BRD4HSD17B13DPP4PIM1GRIN1
SCHEMBL13620419 0.83 GRIN1 (0.48) DPP4GRIN1GRIN2B
SCHEMBL13608022 0.82 CDK9 (0.42) BRD4PRKCQGRIN1GRIN2BPARP1

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-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 US disclosed
WO-2009062059-A2 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-05-14 WO 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 BRD4 1920/4885HSD17B13 2768/4885DPP4 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.