SCHEMBL5771233

SCHEMBL5771233

c1ccc2c(-c3nc(-c4ccc(N5CCOCC5)cc4)cs3)n[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.56
ITK Q08881 1/20 0.56
FGFR1 P11362 2/20 0.55
FLT1 P17948 1/20 0.55
CYP1A1 P04798 4/20 0.52
CYP1A2 P05177 4/20 0.52
CYP1B1 Q16678 4/20 0.52
AR P10275 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PTPRF P10586 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PDGFRB P09619 1/20 0.45
KDM4E B2RXH2 3/20 0.45
MAPT P10636 3/20 0.45
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
AHR P35869 1/20 0.45

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
SCHEMBL5770868 0.91 CPT2 (0.46) LRRK2ITKFGFR1FLT1CYP1A1
SCHEMBL5767357 0.84 HPGD (0.57) LRRK2NPC1RAB9AALDH1A1HPGD
SCHEMBL26911852 0.83 LRRK2 (0.72) LRRK2ITKFGFR1FLT1NPC1
SCHEMBL29548155 0.83 LRRK2 (0.72) LRRK2ITKFGFR1FLT1NPC1
SCHEMBL5772080 0.81 KDM4E (0.60) LRRK2ARNPC1RAB9ASMN1; SMN2
SCHEMBL5813034 0.80 LRRK2 (0.55) LRRK2ITKFGFR1FLT1CYP1A1
SCHEMBL22543358 0.79 CYP1A1 (0.62) CYP1A1CYP1A2CYP1B1ARNPC1
SCHEMBL5777148 0.79 KDM4E (0.63) ITKNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5771544 0.79 CYP19A1 (0.51) CYP1A1CYP1A2CYP1B1NPC1RAB9A
SCHEMBL5771063 0.79 LRRK2 (0.54) LRRK2ITKFGFR1FLT1AR

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.