SCHEMBL13620504

SCHEMBL13620504

C[C@H](c1cc(Br)ccc1OC(F)(F)F)n1c(=O)[nH]c2cnc(NC[C@@H]3CCNC3)nc21

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.39
ADRA2A P08913 7/20 0.39
NPY5R Q15761 7/20 0.39
JAK2 O60674 3/20 0.37
JAK1 P23458 3/20 0.37
JAK3 P52333 3/20 0.37
OPRM1 P35372 1/20 0.35
KDM1A O60341 3/20 0.35
TDO2 P48775 1/20 0.34
BRD4 O60885 1/20 0.34
ATAD2 Q6PL18 1/20 0.34
CHEK1 O14757 2/20 0.33
USP1 O94782 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
SCHEMBL13620394 0.92 JAK2 (0.37) MCHR1ADRA2ANPY5RJAK2JAK1
SCHEMBL13620383 0.91 JAK2 (0.40) MCHR1ADRA2ANPY5RJAK2JAK1
SCHEMBL13620500 0.91 KDM1A (0.37) JAK2JAK1JAK3KDM1ATDO2
SCHEMBL13620426 0.90 USP1 (0.41) MCHR1ADRA2ANPY5RJAK2JAK1
SCHEMBL13620298 0.90 USP1 (0.41) MCHR1ADRA2ANPY5RJAK2JAK1
SCHEMBL13620275 0.87 USP1 (0.38) MCHR1ADRA2ANPY5RJAK2JAK1
SCHEMBL13620493 0.87 USP1 (0.38) MCHR1ADRA2ANPY5RJAK2JAK1
SCHEMBL13620487 0.86 JAK2 (0.34) JAK2JAK1JAK3KDM1AUSP1
SCHEMBL13620260 0.84 MCHR1 (0.41) MCHR1ADRA2ANPY5RKDM1ATDO2
SCHEMBL3848468 0.83 MCHR1 (0.42) MCHR1ADRA2ANPY5RKDM1ATDO2

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 1 patent. 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

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.