SCHEMBL5769397

SCHEMBL5769397

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 5/20 0.67
KDM4E B2RXH2 9/20 0.62
RAB9A P51151 7/20 0.62
NPC1 O15118 6/20 0.62
SMN1; SMN2 Q16637 5/20 0.62
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
MAPK1 P28482 3/20 0.53
MAPK6 Q16659 3/20 0.53
MAPKAPK3 Q16644 2/20 0.53
ALDH1A1 P00352 4/20 0.50
ITK Q08881 1/20 0.50
MAPT P10636 1/20 0.47
GAA P10253 2/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
ALPL P05186 1/20 0.46
IDO1 P14902 1/20 0.46
HPGD P15428 1/20 0.46
TTK P33981 1/20 0.46

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
SCHEMBL5769985 0.88 MAP2K4 (0.71) MAP2K4KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL5772080 0.87 KDM4E (0.60) MAP2K4KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL5773440 0.86 MAPK1 (0.53) MAP2K4KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL5771544 0.83 CYP19A1 (0.51) KDM4ERAB9ANPC1SMN1; SMN2MEN1
SCHEMBL5777148 0.83 KDM4E (0.63) KDM4ERAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3732433 0.82 MAP2K4 (1.00) MAP2K4KDM4ERAB9ANPC1MAPK1
SCHEMBL5770666 0.81 MAPK10 (0.53) MAP2K4RAB9ANPC1SMN1; SMN2MAPK1
SCHEMBL5767357 0.81 HPGD (0.57) MAP2K4RAB9ANPC1ALDH1A1HPGD
SCHEMBL5772284 0.80 KDM4E (0.46) MAP2K4KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL5872930 0.80 HPGD (0.55) MAP2K4KDM4ERAB9ANPC1SMN1; SMN2

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 MAP2K4 2844/4885KDM4E 2869/4885RAB9A 3514/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B MAP2K4 2844/4885KDM4E 2869/4885RAB9A 3514/4885

“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.