SCHEMBL5773440

SCHEMBL5773440

COC(=O)c1ccc(-c2csc(-c3n[nH]c4ccccc34)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.53
MAP2K4 P45985 3/20 0.50
FLT3 P36888 1/20 0.49
KDM4E B2RXH2 5/20 0.47
STAT3 P40763 1/20 0.47
HIF1A Q16665 1/20 0.47
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
SMN1; SMN2 Q16637 6/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
PKM P14618 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPK8 P45983 1/20 0.43

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
SCHEMBL5769397 0.86 MAP2K4 (0.67) MAPK1MAP2K4KDM4ENPC1RAB9A
SCHEMBL8126956 0.83 MAPK1 (0.72) MAPK1MAP2K4FLT3KDM4ESTAT3
SCHEMBL5767848 0.83 CYP19A1 (0.54) MAPK1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5777148 0.81 KDM4E (0.63) MAPK1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5772080 0.81 KDM4E (0.60) MAPK1MAP2K4KDM4ENPC1RAB9A
SCHEMBL5872930 0.80 HPGD (0.55) MAP2K4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5770666 0.80 MAPK10 (0.53) MAPK1MAP2K4FLT3NPC1RAB9A
SCHEMBL5771544 0.79 CYP19A1 (0.51) MAPK1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5772284 0.79 KDM4E (0.46) MAP2K4KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5769985 0.78 MAP2K4 (0.71) MAPK1MAP2K4KDM4ENPC1RAB9A

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 MAPK1 2837/4885MAP2K4 2844/4885FLT3 1967/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B MAPK1 2837/4885MAP2K4 2844/4885FLT3 1967/4885

“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.