SCHEMBL5872886

SCHEMBL5872886

Cc1cc(C)c2[nH]nc(-c3nc(C(=O)N4CCN(C(C)C)CC4)c(-c4cccnc4)s3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.39
DYRK1A Q13627 2/20 0.39
WNT1 P04628 1/20 0.39
KDM5A P29375 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ATAD2 Q6PL18 1/20 0.36
MAP2K4 P45985 1/20 0.36
ADORA2A P29274 2/20 0.36
HTT P42858 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
PIM1 P11309 1/20 0.35
PARP1 P09874 1/20 0.35
CFTR P13569 1/20 0.34
TACR3 P29371 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL5872961 0.92 NAMPT (0.38) NAMPTDYRK1AWNT1KDM5AALDH1A1
SCHEMBL5769525 0.91 PIM1 (0.41) NAMPTDYRK1AWNT1ALDH1A1MAP2K4
SCHEMBL5873067 0.90 MKNK1 (0.43) NAMPTKDM5AALDH1A1KDM4EMAP2K4
SCHEMBL5872965 0.88 KMT2A (0.43) NAMPTALDH1A1MAPTMAP2K4HTT
SCHEMBL5873193 0.88 DYRK1A (0.41) NAMPTDYRK1AWNT1ALDH1A1KDM4E
SCHEMBL5873155 0.87 SLC6A7 (0.42) ALDH1A1MAPTKDM4EHTTKMT2A
SCHEMBL5873066 0.87 MEN1 (0.42) DYRK1AWNT1ALDH1A1KDM4EKMT2A
SCHEMBL5872868 0.87 CYP2C9 (0.40) KDM5AALDH1A1HTTKMT2AMEN1
SCHEMBL5872913 0.87 DYRK1A (0.40) NAMPTDYRK1AWNT1KDM5AALDH1A1
SCHEMBL5873016 0.86 KDM4E (0.44) ALDH1A1MAPTKDM4EHTTKMT2A

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-6984652-B2 Gyrase inhibitors WARNER-LAMBERT COMPANY LLC (US) 2006-01-10 US disclosed
US-20050250823-A1 Gyrase inhibitors YAGER KRAIG 2005-11-10 US disclosed
US-20050054697-A1 Gyrase inhibitors PFIZER INC. 2005-03-10 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-20050054697-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B NAMPT 975/4885DYRK1A 1836/4885WNT1 3712/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B NAMPT 975/4885DYRK1A 1836/4885WNT1 3712/4885

“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.