SCHEMBL5873032

SCHEMBL5873032

Cc1sc(-c2n[nH]c3ccccc23)nc1-c1ccc(N2CCOCC2)c(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.46
LRRK2 Q5S007 3/20 0.46
ITK Q08881 1/20 0.42
FLT1 P17948 1/20 0.42
AR P10275 1/20 0.41
KDM4E B2RXH2 2/20 0.41
GAA P10253 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 2/20 0.41
RAB9A P51151 1/20 0.41
PKM P14618 1/20 0.40
MAP2K4 P45985 2/20 0.40
MOK Q9UQ07 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPKAPK3 Q16644 1/20 0.40
MAPK6 Q16659 1/20 0.40
NCF1 P14598 1/20 0.40
RORC P51449 1/20 0.40
CDK2 P24941 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
SCHEMBL5873124 0.91 FGFR1 (0.44) FGFR1LRRK2ITKFLT1KDM4E
SCHEMBL5813034 0.82 LRRK2 (0.55) FGFR1LRRK2ITKFLT1AR
SCHEMBL5771326 0.81 MAP2K4 (0.47) FGFR1ITKKDM4EGAAALDH1A1
SCHEMBL6506307 0.78 LRRK2 (0.53) FGFR1LRRK2ITKFLT1AR
SCHEMBL5777277 0.73 KDM4E (0.63) FGFR1LRRK2ITKFLT1KDM4E
SCHEMBL5770987 0.73 FGFR1 (0.53) FGFR1ITKFLT1
SCHEMBL5771063 0.72 LRRK2 (0.54) FGFR1LRRK2ITKFLT1AR
SCHEMBL5873135 0.71 MAPK10 (0.52) FGFR1LRRK2ITKFLT1MAP2K4
SCHEMBL5776631 0.70 IDO1 (0.50) FGFR1LRRK2ITKFLT1KDM4E
SCHEMBL5872891 0.70 FLT3 (0.46) FGFR1LRRK2

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

“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.