SCHEMBL13620406

SCHEMBL13620406

O=c1[nH]c2cnc(NCCCn3ccnc3)nc2n1Cc1ccccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
BRD4 O60885 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SCN9A Q15858 1/20 0.39
QPCT Q16769 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.38
USP1 O94782 1/20 0.38
EGFR P00533 1/20 0.38
DPP4 P27487 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
SCHEMBL12371718 0.88 POLB (0.41) POLBALOX15TSHRHTTSMN1; SMN2
SCHEMBL12371788 0.87 POLB (0.44) POLBALOX15TSHRHTTSMN1; SMN2
SCHEMBL12371799 0.85 SMN1; SMN2 (0.43) POLBALOX15TSHRHTTSMN1; SMN2
SCHEMBL12371675 0.85 BRD4 (0.43) BRD4HSD17B13USP1DPP4
SCHEMBL13620514 0.84 BRD4 (0.43) BRD4HSD17B13USP1DPP4
SCHEMBL13620265 0.83 POLB (0.44) POLBALOX15TSHRHTTSMN1; SMN2
SCHEMBL13608435 0.82 FGFR1 (0.45) POLBALOX15TSHRHTTSMN1; SMN2
SCHEMBL13620073 0.81 BRD4 (0.45) BRD4HSD17B13USP1DPP4
SCHEMBL13620415 0.80 HRH4 (0.45) BRD4TSHRHSD17B13USP1
SCHEMBL13620430 0.80 QPCT (0.43) POLBALOX15TSHRHTTSMN1; SMN2

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 POLB 821/4885BRD4 1920/4885ALOX15 4285/4885

“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.