SCHEMBL3848466

SCHEMBL3848466

O=c1[nH]c2cnc(NC[C@@H]3CCNC3)nc2n1Cc1cc(Br)ccc1OC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.42
ADRA2A P08913 11/20 0.42
NPY5R Q15761 10/20 0.42
DDR1 Q08345 1/20 0.36
SLC6A4 P31645 2/20 0.35
KDM1A O60341 1/20 0.34
TDO2 P48775 1/20 0.34
BRD4 O60885 2/20 0.34
ATAD2 Q6PL18 1/20 0.34
PRKCQ Q04759 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
SCHEMBL3848468 1.00 MCHR1 (0.42) MCHR1ADRA2ANPY5RDDR1SLC6A4
SCHEMBL13620287 0.95 MCHR1 (0.42) MCHR1ADRA2ANPY5RDDR1KDM1A
SCHEMBL13620497 0.95 MCHR1 (0.45) MCHR1ADRA2ANPY5RDDR1SLC6A4
SCHEMBL13620423 0.91 USP1 (0.38) MCHR1ADRA2ANPY5RDDR1KDM1A
SCHEMBL13620230 0.91 BRD4 (0.37) MCHR1ADRA2ANPY5RDDR1KDM1A
SCHEMBL13620229 0.90 KDM1A (0.44) DDR1SLC6A4KDM1A
SCHEMBL13620288 0.90 USP1 (0.36) MCHR1ADRA2ANPY5RDDR1KDM1A
SCHEMBL13620375 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5RDDR1BRD4
SCHEMBL13620258 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5RDDR1PRKCQ
SCHEMBL13620269 0.89 MCHR1 (0.46) MCHR1ADRA2ANPY5RDDR1PRKCQ

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 3 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
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 MCHR1 3804/4885ADRA2A 461/4885NPY5R 3514/4885

“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.