SCHEMBL5772793

SCHEMBL5772793

Cc1nc(-c2n[nH]c3ccccc23)sc1-c1ccc(Br)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.43
IDO1 P14902 2/20 0.39
TTK P33981 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ALPL P05186 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MAPK10 P53779 1/20 0.39
MAP2K4 P45985 3/20 0.38
ITK Q08881 4/20 0.37
AURKA O14965 1/20 0.36
MAPK1 P28482 2/20 0.36
MAPKAPK3 Q16644 2/20 0.36
MAPK6 Q16659 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
COMT P21964 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL5873029 0.85 ITK (0.43) JAK2IDO1TTKKDM4EALDH1A1
SCHEMBL5872971 0.84 KDM4E (0.44) JAK2IDO1TTKKDM4EALDH1A1
SCHEMBL5773591 0.83 JAK2 (0.47) JAK2IDO1TTKKDM4EALDH1A1
SCHEMBL5769801 0.77 ITK (0.48) JAK2IDO1TTKKDM4EALDH1A1
SCHEMBL5774743 0.76 IDO1 (0.43) JAK2IDO1TTKKDM4EALDH1A1
SCHEMBL5748633 0.72 FGFR1 (0.53) JAK2ITKFGFR1MELK
SCHEMBL5771063 0.72 LRRK2 (0.54) KDM4EALDH1A1GAAHPGDITK
SCHEMBL5776631 0.72 IDO1 (0.50) IDO1TTKKDM4EALDH1A1ALPL
SCHEMBL5768215 0.71 IDO1 (0.57) IDO1TTKKDM4EALDH1A1ALPL
SCHEMBL5872977 0.69 TNKS (0.46) AURKAKDRFGFR1FLT3

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 JAK2 4304/4885IDO1 651/4885TTK 624/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B JAK2 4304/4885IDO1 651/4885TTK 624/4885

“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.