SCHEMBL5771063

SCHEMBL5771063

Cc1nc(-c2n[nH]c3ccccc23)sc1-c1ccc(N2CCOCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 6/20 0.54
ITK Q08881 1/20 0.54
FGFR1 P11362 3/20 0.53
FLT1 P17948 2/20 0.53
AHR P35869 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
HCRTR1 O43613 1/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
PDGFRB P09619 1/20 0.42
ROCK1 Q13464 1/20 0.41
PIK3CD O00329 1/20 0.41
AR P10275 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL5748633 0.90 FGFR1 (0.53) LRRK2ITKFGFR1FLT1MAP4K1
SCHEMBL5813034 0.86 LRRK2 (0.55) LRRK2ITKFGFR1FLT1AHR
SCHEMBL26911852 0.82 LRRK2 (0.72) LRRK2ITKFGFR1FLT1AHR
SCHEMBL29548155 0.82 LRRK2 (0.72) LRRK2ITKFGFR1FLT1AHR
SCHEMBL5872971 0.80 KDM4E (0.44) LRRK2ITKFGFR1FLT1KDM4E
SCHEMBL5771233 0.79 LRRK2 (0.56) LRRK2ITKFGFR1FLT1AHR
SCHEMBL6506307 0.76 LRRK2 (0.53) LRRK2ITKFGFR1FLT1AR
SCHEMBL5872977 0.76 TNKS (0.46) LRRK2FGFR1FLT1AURKAMAP4K1
SCHEMBL5770987 0.76 FGFR1 (0.53) ITKFGFR1FLT1MAP4K1
SCHEMBL5774743 0.74 IDO1 (0.43) LRRK2ITKFGFR1FLT1KDM4E

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 LRRK2 2922/4885ITK 1969/4885FGFR1 3930/4885
US-20050250823-A1 Gyrase inhibitors TOP1, TOP2A, TOP2B LRRK2 2922/4885ITK 1969/4885FGFR1 3930/4885

“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.