SCHEMBL5873217

SCHEMBL5873217

COC(=O)c1nc(-c2n[nH]c3c(C)ccc(F)c23)sc1-c1cccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SLC2A1 P11166 1/20 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
CYP2C19 P33261 2/20 0.35
PTGS2 P35354 1/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
PKM P14618 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
SCHEMBL5872932 0.94 ATAD2 (0.40) PIM1ATAD2KDM4EALDH1A1SMN1; SMN2
SCHEMBL5769485 0.89 NR4A2 (0.38) PIM1ATAD2KDM4EALDH1A1SMN1; SMN2
SCHEMBL5873062 0.85 CDC7 (0.47) PIM1ATAD2KDM4EALDH1A1SMN1; SMN2
SCHEMBL5775974 0.85 ATAD2 (0.40) ATAD2KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5873031 0.79 KDM5A (0.38) PIM1
SCHEMBL5770570 0.79 NR4A2 (0.38) ATAD2KDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL5873004 0.77 PIM1 (0.42) PIM1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5872992 0.76 MAP2K4 (0.48) PIM1KDM4EALDH1A1CYP1A2LRRK2
SCHEMBL5770580 0.76 CDC7 (0.47) KDM4EALDH1A1SMN1; SMN2HPGDCDC7
SCHEMBL5747881 0.74 KDM4E (0.45) PIM1ATAD2KDM4EALDH1A1CYP1A2

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 PIM1 1909/4885ATAD2 1264/4885KDM4E 2869/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B PIM1 1909/4885ATAD2 1264/4885KDM4E 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.