SCHEMBL3849434

SCHEMBL3849434

Nc1cnc(NCC2CCN(C(=O)O)C2)cc1NCc1ccccc1OC(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 8/20 0.44
CYP2C9 P11712 3/20 0.44
CYP2J2 P51589 3/20 0.44
PRKCQ Q04759 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NTRK1 P04629 1/20 0.38
MGLL Q99685 1/20 0.38
PIM1 P11309 2/20 0.37
SCN9A Q15858 2/20 0.37
DCPS Q96C86 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR1 O14842 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
SCHEMBL13608035 0.90 IDO1 (0.43) EPHX2CYP2C9CYP2J2PRKCQHDAC3
SCHEMBL3854077 0.88 PRKCQ (0.53) EPHX2CYP2C9CYP2J2PRKCQHDAC3
SCHEMBL3854069 0.88 PRKCQ (0.53) EPHX2CYP2C9CYP2J2PRKCQHDAC3
SCHEMBL13620030 0.84 PRKCQ (0.49) EPHX2CYP2C9CYP2J2PRKCQHDAC3
SCHEMBL3845255 0.82 PRKCQ (0.40) CYP2C9PRKCQ
SCHEMBL13608038 0.78 PRKCQ (0.50) EPHX2CYP2C9CYP2J2PRKCQPIM1
SCHEMBL3849773 0.75 PRKCQ (0.41) EPHX2CYP2C9CYP2J2PRKCQHDAC3
SCHEMBL13608017 0.74 CCNT1 (0.45)
SCHEMBL13608034 0.72 DPP4 (0.42) EPHX2CYP2C9CYP2J2MGLLPIM1
SCHEMBL3987270 0.72 PRKCQ (0.51) EPHX2CYP2C9CYP2J2PRKCQPIM1

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 EPHX2 1887/4885CYP2C9 1991/4885CYP2J2 995/4885

“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.