SCHEMBL899450

SCHEMBL899450

CCOC(=O)c1c(-c2ccc(N)cc2)noc1C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.54
ATM Q13315 1/20 0.52
PRKCZ Q05513 1/20 0.51
LMNA P02545 4/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
PTBP1 P26599 1/20 0.51
GAA P10253 3/20 0.50
CACNA1F O60840 2/20 0.50
CACNA1D Q01668 2/20 0.50
CACNA1S Q13698 2/20 0.50
CACNA1C Q13936 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50

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
SCHEMBL2923610 0.89 ATM (0.64) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL3294932 0.87 POLB (0.57) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL286360 0.86 GPBAR1 (0.62) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL2776267 0.86 TSHR (0.70) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL13674 0.86 CACNA1F (0.62) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL286034 0.86 ALDH1A1 (0.61) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL14583 0.86 POLB (0.56) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL536297 0.86 TSHR (0.74) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL2775071 0.85 GAA (0.64) POLBALOX15TSHRMAPK1L3MBTL1
SCHEMBL1776304 0.84 MAPK1 (0.57) POLBALOX15TSHRMAPK1L3MBTL1

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
EP-2621920-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS Bristol-Myers Squibb Company (US) 2013-08-07 EP disclosed
US-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY 2012-09-27 US disclosed
WO-2012044531-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-05 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-20120245176-A1 NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS ZC3HAV1, ZC3HAV1L, BAZ2A POLB 2820/4885ALOX15 3110/4885TSHR 526/4885

“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.