SCHEMBL5872971

SCHEMBL5872971

Cc1nc(-c2n[nH]c3ccccc23)sc1-c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 4/20 0.44
IDO1 P14902 3/20 0.44
GAA P10253 2/20 0.44
ALPL P05186 1/20 0.44
HPGD P15428 1/20 0.44
TTK P33981 1/20 0.44
MAPK10 P53779 1/20 0.44
JAK2 O60674 1/20 0.42
DCLK1 O15075 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
CHEK2 O96017 1/20 0.42
CSF1R P07333 1/20 0.42
FER P16591 1/20 0.42
CDK2 P24941 1/20 0.42
MARK3 P27448 1/20 0.42
FLT4 P35916 1/20 0.42
FLT3 P36888 1/20 0.42
MAPK9 P45984 1/20 0.42

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
SCHEMBL5776631 0.85 IDO1 (0.50) KDM4EALDH1A1IDO1GAAALPL
SCHEMBL5772793 0.84 JAK2 (0.43) KDM4EALDH1A1IDO1GAAALPL
SCHEMBL5873029 0.82 ITK (0.43) KDM4EALDH1A1IDO1GAAALPL
SCHEMBL5774743 0.81 IDO1 (0.43) KDM4EALDH1A1IDO1GAAALPL
SCHEMBL5771063 0.80 LRRK2 (0.54) KDM4EALDH1A1GAAHPGDCDK2
SCHEMBL5748633 0.80 FGFR1 (0.53) JAK2MELKITKLRRK2FGFR1
SCHEMBL5773591 0.80 JAK2 (0.47) KDM4EALDH1A1IDO1GAAALPL
SCHEMBL5771654 0.79 ALDH1A1 (0.65) KDM4EALDH1A1IDO1GAAALPL
SCHEMBL5769801 0.78 ITK (0.48) KDM4EALDH1A1IDO1GAAALPL
SCHEMBL28982378 0.78 IDO1 (0.71) KDM4EALDH1A1IDO1GAAALPL

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KDM4E 2869/4885ALDH1A1 2272/4885IDO1 651/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B KDM4E 2869/4885ALDH1A1 2272/4885IDO1 651/4885

“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.