SCHEMBL13620031

SCHEMBL13620031

O=c1[nH]c2cnc(NCC3CCCC3)cc2n1Cc1ccccc1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.44
DPP4 P27487 1/20 0.43
HSD17B13 Q7Z5P4 1/20 0.42
PRKCQ Q04759 1/20 0.40
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
C5AR1 P21730 1/20 0.37
EPHX2 P34913 4/20 0.37
PPARG P37231 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2J2 P51589 2/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
OPRM1 P35372 2/20 0.37
ALOX5AP P20292 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36

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
SCHEMBL13620029 0.90 BRD4 (0.42) BRD4DPP4HSD17B13PRKCQGRIN1
SCHEMBL13608034 0.86 DPP4 (0.42) BRD4DPP4HSD17B13GRIN1GRIN2B
SCHEMBL13608036 0.84 PARP1 (0.47) BRD4DPP4HSD17B13EPHX2CYP2C9
SCHEMBL13620267 0.80 DDR1 (0.40) HSD17B13
SCHEMBL13620400 0.76 PRKCQ (0.46) BRD4DPP4HSD17B13PRKCQHTR2C
SCHEMBL13620042 0.76 PRKCQ (0.49) BRD4DPP4HSD17B13PRKCQADORA2A
SCHEMBL13620077 0.76 PRKCQ (0.42) BRD4DPP4HSD17B13PRKCQHTR2C
SCHEMBL13620428 0.76 PRKCQ (0.42) BRD4DPP4HSD17B13PRKCQHTR2C
SCHEMBL13620302 0.75 DPP4 (0.44) BRD4DPP4HSD17B13PRKCQC5AR1
SCHEMBL13608471 0.74 BRD4 (0.42) BRD4GRIN1GRIN2BHTR2C

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 BRD4 1920/4885DPP4 3354/4885HSD17B13 2768/4885

“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.