SCHEMBL5775974

SCHEMBL5775974

COC(=O)c1nc(-c2n[nH]c3c(C)cccc23)sc1-c1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATAD2 Q6PL18 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 2/20 0.38
SLC2A1 P11166 1/20 0.38
CDC7 O00311 1/20 0.38
DBF4 Q9UBU7 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
LRRK2 Q5S007 1/20 0.37
NR4A2 P43354 2/20 0.37
NEK1 Q96PY6 1/20 0.37

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
SCHEMBL5770580 0.91 CDC7 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL5872932 0.89 ATAD2 (0.40) ATAD2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5747881 0.89 KDM4E (0.45) ATAD2KDM4EALDH1A1LMNAHTT
SCHEMBL5773483 0.89 KDM4E (0.51) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL5770570 0.87 NR4A2 (0.38) ATAD2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5873217 0.85 PIM1 (0.38) ATAD2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5769485 0.85 NR4A2 (0.38) ATAD2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL5873216 0.85 KDM4E (0.41) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL5767081 0.85 KDM4E (0.39) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10
SCHEMBL5770483 0.85 RPS6KB1 (0.40) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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 ATAD2 1264/4885KDM4E 2869/4885ALDH1A1 2272/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B ATAD2 1264/4885KDM4E 2869/4885ALDH1A1 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.