SCHEMBL3854087

SCHEMBL3854087

O=[N+]([O-])c1cnc(Cl)nc1NCc1cccc(I)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 8/20 0.54
PIN1 Q13526 3/20 0.51
ADORA2A P29274 4/20 0.43
ADORA1 P30542 4/20 0.43
ADORA3 P0DMS8 4/20 0.43
PPARG P37231 3/20 0.43
PPARD Q03181 3/20 0.43
EGFR P00533 1/20 0.42

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
SCHEMBL3971786 0.85 PIN1 (0.65) PRKCQPIN1EGFR
SCHEMBL1265338 0.81 PIN1 (0.53) PRKCQPIN1
SCHEMBL2274362 0.80 PIN1 (0.58) PRKCQPIN1
SCHEMBL3394316 0.79 PIN1 (0.48) PRKCQPIN1
SCHEMBL3847008 0.77 PRKCQ (0.51) PRKCQPIN1
SCHEMBL1266942 0.77 PRKCQ (0.57) PRKCQPIN1
SCHEMBL27845606 0.76 PDE5A (0.56) PRKCQPIN1
SCHEMBL2598659 0.76 PIN1 (0.46) PRKCQPIN1ADORA3EGFR
SCHEMBL17201936 0.76 EGFR (0.53) PRKCQEGFR
SCHEMBL14841617 0.76 PIN1 (0.62) PRKCQPIN1

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 5 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
US-20090281075-A1 ISOMERIC PURINONES AND 1H-IMIDAZOPYRIDINONES AS PKC-THETA INHIBITORS PHARMACOPEIA, INC. (US) 2009-11-12 US disclosed
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
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 3/4885PIN1 967/4885ADORA2A 975/4885

“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.