SCHEMBL5770001

SCHEMBL5770001

COC(=O)c1nc(-c2n[nH]c3c(C)cccc23)sc1-c1ccc(C(F)(F)F)nc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.40
MAPK1 P28482 2/20 0.35
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PTGES O14684 1/20 0.34
PKM P14618 2/20 0.34
NR4A2 P43354 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CHEK1 O14757 1/20 0.34
PTPN1 P18031 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
STAT3 P40763 1/20 0.33
HIF1A Q16665 1/20 0.33
NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL5767081 0.87 KDM4E (0.39) MAPK1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5872933 0.85 KDM4E (0.41) MAPK1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5873216 0.84 KDM4E (0.41) MAPK1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5773483 0.84 KDM4E (0.51) MAPK1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5770483 0.83 RPS6KB1 (0.40) KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL5775974 0.83 ATAD2 (0.40) LRRK2KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5774263 0.80 ATR (0.40)
SCHEMBL5774853 0.76 TRPM8 (0.43) MAPK1KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5770580 0.75 CDC7 (0.47) KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5773580 0.74 L3MBTL1 (0.50) MAPK1KDM4EALDH1A1SMN1; SMN2HPGD

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 LRRK2 2922/4885MAPK1 2837/4885KDM4E 2869/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B LRRK2 2922/4885MAPK1 2837/4885KDM4E 2869/4885

“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.