SCHEMBL3557006

SCHEMBL3557006

CCOC(=O)c1cc(-c2ncc(F)c3c(C(=O)C(=O)N4CCN(c5c[nH]nc5-c5ccccc5)CC4)c[nH]c23)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.41
TACR3 P29371 6/20 0.37
JAK2 O60674 3/20 0.37
JAK3 P52333 3/20 0.37
TACR2 P21452 1/20 0.37
TACR1 P25103 1/20 0.37
MAPT P10636 3/20 0.36
CYP2C9 P11712 2/20 0.36
ALPL P05186 2/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C8 P10632 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL27739883 0.91 TACR3 (0.39) HPGDSTACR3TACR2TACR1CYP2C9
SCHEMBL2629093 0.87 CYP2C9 (0.49) HPGDSJAK2JAK3MAPTCYP2C9
SCHEMBL4244753 0.87 ALPL (0.36) TACR3TACR2TACR1CYP2C9ALPL
SCHEMBL13116993 0.85 HDAC3 (0.35) TACR3TACR2TACR1CYP2C9L3MBTL1
SCHEMBL3563534 0.85 ALDH1A1 (0.48) HPGDSJAK2JAK3CYP2C9CYP1A2
SCHEMBL4239481 0.83 KDM5B (0.40)
SCHEMBL27760384 0.82 NTRK1 (0.36) TACR3TACR2TACR1
SCHEMBL14385667 0.81 HPGDS (0.36) HPGDSJAK2JAK3MAPTCYP2C9
SCHEMBL3560201 0.80 HPGDS (0.43) HPGDSJAK2JAK3MAPTALPL
SCHEMBL2629092 0.76 CYP2C9 (0.51) HPGDSTACR3CYP2C9TP53CYP1A2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010525-B1 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL MYERS SQUIBB CO (US) 2013-08-28 EP disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807676-B2 Diketo-Piperazine and Piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
US-7807671-B2 Diketo-piperazine and piperidine derivatives as antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-10-05 US disclosed
EP-2010525-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS Brystol-Myers Squibb Company (US) 2009-01-07 EP disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
US-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2008-06-12 US disclosed
WO-2007127635-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
WO-2007127635-A2 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-08 WO disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 US disclosed
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY 2007-10-25 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 (2 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-20080139572-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS HPGDS 1332/4885TACR3 3594/4885JAK2 998/4885
US-20070249579-A1 DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS EIF2AK2, DCK, MAVS HPGDS 1332/4885TACR3 3594/4885JAK2 998/4885

“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.