SCHEMBL13620415

SCHEMBL13620415

O=c1[nH]c2cnc(NCCc3cnc[nH]3)nc2n1Cc1ccccc1OC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.45
MAPK7 Q13164 1/20 0.44
LRRK2 Q5S007 1/20 0.44
BRD4 O60885 1/20 0.41
MKNK1 Q9BUB5 4/20 0.40
MKNK2 Q9HBH9 2/20 0.39
USP1 O94782 3/20 0.39
HRH3 Q9Y5N1 2/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HSD17B13 Q7Z5P4 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
CLK4 Q9HAZ1 1/20 0.38
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 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
SCHEMBL13608463 0.85 MAPK7 (0.50) HRH4MAPK7LRRK2MKNK1MKNK2
SCHEMBL12371675 0.84 BRD4 (0.43) BRD4USP1HDAC3HDAC1HDAC2
SCHEMBL13620514 0.83 BRD4 (0.43) BRD4USP1HDAC3HDAC1HDAC2
SCHEMBL13620073 0.83 BRD4 (0.45) MAPK7LRRK2BRD4USP1HDAC3
SCHEMBL13620278 0.81 BRD4 (0.42) BRD4USP1HDAC3HDAC1HDAC2
SCHEMBL13620406 0.80 POLB (0.41) BRD4USP1HSD17B13TSHR
SCHEMBL13620208 0.79 BRD4 (0.40) BRD4USP1HDAC3HDAC1HDAC2
SCHEMBL13620075 0.78 BRD4 (0.43) BRD4USP1HDAC3HDAC1HDAC2
SCHEMBL13608180 0.78 MKNK1 (0.43) MAPK7LRRK2MKNK1MKNK2USP1
SCHEMBL13620400 0.78 PRKCQ (0.46) BRD4USP1HDAC3HDAC1HDAC2

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 HRH4 3037/4885MAPK7 297/4885LRRK2 2001/4885

“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.