SCHEMBL5873036

SCHEMBL5873036

Cc1sc(-c2n[nH]c3ccccc23)nc1-c1ccc(Br)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.43
LRRK2 Q5S007 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
ALPL P05186 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
TTK P33981 1/20 0.42
MAPK10 P53779 1/20 0.42
MAP2K4 P45985 2/20 0.39
ITK Q08881 3/20 0.38
DCLK1 O15075 1/20 0.37
PRKD3 O94806 1/20 0.37
MAP4K4 O95819 1/20 0.37
CHEK2 O96017 1/20 0.37
CSF1R P07333 1/20 0.37
FER P16591 1/20 0.37
CDK2 P24941 1/20 0.37
MARK3 P27448 1/20 0.37
FLT4 P35916 1/20 0.37

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 0.88 IDO1 (0.50) IDO1LRRK2KDM4EALDH1A1ALPL
SCHEMBL5777277 0.83 KDM4E (0.63) IDO1LRRK2KDM4EALDH1A1ALPL
SCHEMBL5872968 0.82 IDO1 (0.68) IDO1LRRK2KDM4EALDH1A1ALPL
SCHEMBL5873219 0.82 NAMPT (0.38) IDO1LRRK2KDM4EALDH1A1ALPL
SCHEMBL5873090 0.80 PLK4 (0.47) FLT3AURKBFGFR1FLT1AURKA
SCHEMBL6506307 0.79 LRRK2 (0.53) LRRK2ITKFLT3FGFR1FLT1
SCHEMBL5872779 0.79 TDO2 (0.41) IDO1LRRK2KDM4EALDH1A1ALPL
SCHEMBL5872887 0.78 ACVR1 (0.44) FGFR1PIM1
SCHEMBL5872877 0.78 LRRK2 (0.46) LRRK2
SCHEMBL5873134 0.76 PIM1 (0.42) FLT3AURKBFGFR1PIM1

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 IDO1 651/4885LRRK2 2922/4885KDM4E 2869/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B IDO1 651/4885LRRK2 2922/4885KDM4E 2869/4885

“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.