SCHEMBL5773795

SCHEMBL5773795

O=C(O)c1nc(-c2n[nH]c3ccccc23)sc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.53
MAPK1 P28482 1/20 0.53
MAPKAPK3 Q16644 1/20 0.53
MAPK6 Q16659 1/20 0.53
KDM4E B2RXH2 4/20 0.53
IDO1 P14902 3/20 0.53
ALDH1A1 P00352 2/20 0.53
TTK P33981 2/20 0.53
ALPL P05186 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
MAPK10 P53779 1/20 0.53
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
ITK Q08881 2/20 0.44
LRRK2 Q5S007 1/20 0.43
AURKA O14965 3/20 0.42
MAP2K7 O14733 1/20 0.41
CCNA2 P20248 1/20 0.40

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
SCHEMBL5771961 0.87 KDM4E (0.55) MAP2K4MAPK1MAPKAPK3MAPK6KDM4E
SCHEMBL5872907 0.83 RPA1 (0.44) MAP2K4MAPK1MAPKAPK3MAPK6KDM4E
SCHEMBL5768215 0.83 IDO1 (0.57) MAP2K4MAPK1MAPKAPK3MAPK6KDM4E
SCHEMBL5771654 0.82 ALDH1A1 (0.65) MAP2K4MAPK1MAPKAPK3MAPK6KDM4E
SCHEMBL5770836 0.81 ITK (0.49) MAPK1KDM4EIDO1ALDH1A1TTK
SCHEMBL5873072 0.81 MAP2K4 (0.58) MAP2K4MAPK1MAPKAPK3MAPK6KDM4E
SCHEMBL5773293 0.77 IDO1 (0.53) MAP2K4MAPK1MAPKAPK3MAPK6KDM4E
SCHEMBL5747881 0.73 KDM4E (0.45) MAP2K4KDM4EIDO1ALDH1A1LRRK2
SCHEMBL5777277 0.73 KDM4E (0.63) MAP2K4MAPK1MAPKAPK3MAPK6KDM4E
SCHEMBL5873074 0.73 KDM4E (0.58) MAP2K4MAPK1MAPKAPK3MAPK6KDM4E

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.