SCHEMBL3845255

SCHEMBL3845255

Nc1cnc(NCC2CCN(C(=O)O)C2)cc1NCc1cccc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 1/20 0.40
CD38 P28907 2/20 0.39
CYP3A4 P08684 2/20 0.39
CXCR4 P61073 2/20 0.39
CCNT1 O60563 2/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
P2RX7 Q99572 2/20 0.36
VCP P55072 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
GRIN2B Q13224 3/20 0.35
IDO1 P14902 1/20 0.35
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
PTPN11 Q06124 1/20 0.34
VNN1 O95497 1/20 0.34
CCR3 P51677 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
SCHEMBL13608017 0.88 CCNT1 (0.45) CCNT1P2RX7IDO1
SCHEMBL3849783 0.87 PRKCQ (0.51) PRKCQCD38CYP3A4CXCR4CYP2D6
SCHEMBL3849789 0.87 PRKCQ (0.51) PRKCQCD38CYP3A4CXCR4CYP2D6
SCHEMBL3849434 0.82 EPHX2 (0.44) PRKCQCYP2C9
SCHEMBL13845253 0.78 CCNT1 (0.43) PRKCQCYP3A4CCNT1CYP2D6CYP2C9
SCHEMBL13608019 0.76 PRKCQ (0.46) PRKCQCYP3A4CCNT1IDO1CYP2D6
SCHEMBL13608035 0.72 IDO1 (0.43) PRKCQCCNT1IDO1CYP2C9
SCHEMBL3844951 0.71 CD38 (0.44) CD38CYP3A4PDCD1CD274P2RX7
SCHEMBL3852089 0.70 PRKCQ (0.42) PRKCQCYP3A4VCPGRIN2BCYP2D6
SCHEMBL3854069 0.69 PRKCQ (0.53) PRKCQCYP3A4CYP2D6CYP2C9

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 PRKCQ 3/4885CD38 1196/4885CYP3A4 2136/4885

“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.