SCHEMBL3848463

SCHEMBL3848463

CN(c1ncc2[nH]c(=O)n(Cc3cc(Br)ccc3OC(F)(F)F)c2n1)[C@@H]1CCNC1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 10/20 0.38
SLC6A4 P31645 3/20 0.35
BRD4 O60885 1/20 0.35
ADRA2A P08913 2/20 0.34
MCHR1 Q99705 2/20 0.34
USP1 O94782 3/20 0.33
NPY5R Q15761 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
SCHEMBL3845542 0.89 ADORA3 (0.38) DDR1BRD4USP1
SCHEMBL3850528 0.86 USP1 (0.36) DDR1USP1
SCHEMBL3848468 0.81 MCHR1 (0.42) DDR1SLC6A4BRD4ADRA2AMCHR1
SCHEMBL3848466 0.81 MCHR1 (0.42) DDR1SLC6A4BRD4ADRA2AMCHR1
SCHEMBL13620497 0.79 MCHR1 (0.45) DDR1SLC6A4ADRA2AMCHR1NPY5R
SCHEMBL13620287 0.76 MCHR1 (0.42) DDR1ADRA2AMCHR1NPY5R
SCHEMBL13845184 0.76 DDR1 (0.45) DDR1BRD4ADRA2AMCHR1USP1
SCHEMBL3845187 0.75 ADORA3 (0.37) SLC6A4USP1
SCHEMBL3845141 0.75 USP1 (0.40) USP1
SCHEMBL13620258 0.74 MCHR1 (0.46) DDR1ADRA2AMCHR1USP1NPY5R

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 DDR1 3201/4885SLC6A4 4574/4885BRD4 1920/4885

“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.