SCHEMBL5872965

SCHEMBL5872965

Cc1cc(C)c2[nH]nc(-c3nc(C(=O)N4CCN(c5ccncc5)CC4)c(-c4cccnc4)s3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
HTT P42858 3/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
NPSR1 Q6W5P4 2/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.38
CFTR P13569 1/20 0.37
TACR3 P29371 1/20 0.37
PIM1 P11309 2/20 0.36
PARP1 P09874 1/20 0.36
CYP17A1 P05093 2/20 0.36
CYP21A2 P08686 2/20 0.36
CYP11B1 P15538 2/20 0.36
NAMPT P43490 1/20 0.35
MAP2K4 P45985 1/20 0.35
GSK3B P49841 1/20 0.35

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
SCHEMBL5774021 0.91 NPC1 (0.44) KMT2AHTTALDH1A1MEN1NPSR1
SCHEMBL5769525 0.90 PIM1 (0.41) KMT2AHTTALDH1A1MEN1PIM1
SCHEMBL5873155 0.89 SLC6A7 (0.42) KMT2AHTTALDH1A1MEN1NPSR1
SCHEMBL5873066 0.89 MEN1 (0.42) KMT2AALDH1A1MEN1LMNATACR3
SCHEMBL5873067 0.89 MKNK1 (0.43) KMT2AHTTALDH1A1MEN1PIM1
SCHEMBL5873016 0.89 KDM4E (0.44) KMT2AHTTALDH1A1MEN1NPSR1
SCHEMBL5872886 0.88 NAMPT (0.39) KMT2AHTTALDH1A1MEN1NPSR1
SCHEMBL5873025 0.87 ALDH1A1 (0.43) KMT2AHTTALDH1A1MEN1NPSR1
SCHEMBL5873193 0.87 DYRK1A (0.41) KMT2AHTTALDH1A1MEN1CFTR
SCHEMBL5872868 0.86 CYP2C9 (0.40) KMT2AHTTALDH1A1MEN1LMNA

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 KMT2A 3223/4885HTT 4301/4885ALDH1A1 2272/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B KMT2A 3223/4885HTT 4301/4885ALDH1A1 2272/4885

“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.