SCHEMBL3844951

SCHEMBL3844951

NC(=O)OCCCNc1cc(NCc2cccc(Cl)c2Cl)c(N)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CD38 P28907 5/20 0.44
CYP3A4 P08684 1/20 0.44
GAA P10253 1/20 0.37
CNR2 P34972 1/20 0.36
JAK3 P52333 5/20 0.36
JAK2 O60674 4/20 0.36
JAK1 P23458 4/20 0.36
TYK2 P29597 4/20 0.36
CD274 Q9NZQ7 2/20 0.35
VNN1 O95497 1/20 0.35
PDCD1 Q15116 1/20 0.35
AURKA O14965 1/20 0.34
RPS6KB1 P23443 1/20 0.34
PDCD1LG2 Q9BQ51 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
P2RX7 Q99572 1/20 0.33
ENPP2 Q13822 1/20 0.33

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
SCHEMBL3848050 0.86 PRKCQ (0.44) CD38CYP3A4
SCHEMBL13608027 0.81 STK17B (0.46) CD38CYP3A4GAACNR2
SCHEMBL3845255 0.71 PRKCQ (0.40) CD38CYP3A4CD274VNN1PDCD1
SCHEMBL13845253 0.69 CCNT1 (0.43) CYP3A4RPS6KB1
SCHEMBL13608017 0.69 CCNT1 (0.45) JAK3JAK2P2RX7
SCHEMBL13608030 0.68 SIRT5 (0.46) CD38CYP3A4
SCHEMBL4590126 0.66 TAAR1 (0.53) CD274PDCD1LG2
SCHEMBL28539858 0.65 RAB9A (0.45)
SCHEMBL29192695 0.64 KDM4D (0.38) CD274PDCD1AURKAPDCD1LG2
SCHEMBL30316975 0.64 LMNA (0.49) CYP3A4

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 CD38 1196/4885CYP3A4 2136/4885GAA 3544/4885

“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.