SCHEMBL5769985

SCHEMBL5769985

O=C(O)c1cccc(-c2csc(-c3n[nH]c4ccccc34)n2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 3/20 0.71
MAPK1 P28482 1/20 0.71
MAPKAPK3 Q16644 1/20 0.71
MAPK6 Q16659 1/20 0.71
ITK Q08881 1/20 0.51
KDM4E B2RXH2 5/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPK10 P53779 2/20 0.47
MAPK8 P45983 1/20 0.47
MAPK14 Q16539 1/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
ALPL P05186 1/20 0.47
GAA P10253 1/20 0.47
IDO1 P14902 1/20 0.47
TTK P33981 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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 0.88 MAP2K4 (0.67) MAP2K4MAPK1MAPKAPK3MAPK6ITK
SCHEMBL5772080 0.85 KDM4E (0.60) MAP2K4MAPK1MAPKAPK3MAPK6KDM4E
SCHEMBL22801827 0.84 MAP2K4 (1.00) MAP2K4MAPK1MAPKAPK3MAPK6ITK
SCHEMBL5873071 0.82 MAPT (0.50) MAP2K4MAPK1MAPKAPK3MAPK6KDM4E
SCHEMBL5767752 0.82 KDM4E (0.51) MAP2K4MAPK1MAPKAPK3MAPK6ITK
SCHEMBL5769229 0.81 MAPK8 (0.56) MAP2K4MAPK1MAPKAPK3MAPK6KDM4E
SCHEMBL5873083 0.80 NPC1 (0.50) ITKKDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5772763 0.80 CYP19A1 (0.57) MAPK1ITKKDM4ENPC1RAB9A
SCHEMBL5768166 0.79 IDO1 (0.66) KDM4ENPC1RAB9AALDH1A1IDO1
SCHEMBL5773440 0.78 MAPK1 (0.53) MAP2K4MAPK1KDM4ENPC1RAB9A

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 2844/4885MAPK1 2837/4885MAPKAPK3 2881/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B MAP2K4 2844/4885MAPK1 2837/4885MAPKAPK3 2881/4885

“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.