SCHEMBL5770570

SCHEMBL5770570

COC(=O)c1nc(-c2n[nH]c3c(C)c(Cl)ccc23)sc1-c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.38
KDM4E B2RXH2 5/20 0.38
PKM P14618 2/20 0.38
RCE1 Q9Y256 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CDC7 O00311 2/20 0.36
DBF4 Q9UBU7 2/20 0.36
CYP1A2 P05177 3/20 0.35
CYP3A4 P08684 3/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
CYP2C19 P33261 2/20 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
SCHEMBL5769495 0.90 GPR35 (0.39) KDM4EATAD2ALDH1A1CYP1A2CYP3A4
SCHEMBL5775974 0.87 ATAD2 (0.40) NR4A2KDM4EATAD2ALDH1A1SMN1; SMN2
SCHEMBL5769485 0.86 NR4A2 (0.38) NR4A2KDM4EPKMRCE1ATAD2
SCHEMBL5873094 0.84 ADORA2A (0.37)
SCHEMBL5770403 0.84 PIM1 (0.42) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL5872958 0.84 MKNK1 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL5872924 0.83 DYRK1A (0.34) KDM4EATAD2ALDH1A1HPGDCYP1A2
SCHEMBL5872932 0.82 ATAD2 (0.40) NR4A2KDM4EATAD2ALDH1A1SMN1; SMN2
SCHEMBL5872913 0.82 DYRK1A (0.40) ATAD2ALDH1A1MEN1KMT2A
SCHEMBL5872992 0.82 MAP2K4 (0.48) NR4A2KDM4EALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1664040-A1 GYRASE INHIBITORS PFIZER INC. (US) 2006-06-07 EP disclosed
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
WO-2005026162-A1 GYRASE INHIBITORS PFIZER INC. (US) 2005-03-24 WO 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 NR4A2 3284/4885KDM4E 2869/4885PKM 1509/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B NR4A2 3284/4885KDM4E 2869/4885PKM 1509/4885

“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.