SCHEMBL2445206

SCHEMBL2445206

Cn1cc(-c2cnc3ccc4ccc(NCC5COCCO5)cc4c(=O)c3c2)cn1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.75
MST1R Q04912 2/20 0.75
AURKA O14965 1/20 0.75
JAK2 O60674 1/20 0.75
ABL1 P00519 1/20 0.75
NTRK1 P04629 1/20 0.75
RET P07949 1/20 0.75
CYP3A4 P08684 1/20 0.75
PDGFRB P09619 1/20 0.75
FGFR1 P11362 1/20 0.75
CYP2C9 P11712 1/20 0.75
NQO2 P16083 1/20 0.75
FLT1 P17948 1/20 0.75
FGFR2 P21802 1/20 0.75
FGFR3 P22607 1/20 0.75
FECH P22830 1/20 0.75
FLT4 P35916 1/20 0.75
KDR P35968 1/20 0.75
FLT3 P36888 1/20 0.75
MAPK9 P45984 1/20 0.75

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
SCHEMBL12332642 0.87 MET (0.80) METMST1RAURKAJAK2ABL1
Mk-2461 SCHEMBL29529144 0.86 MET (1.00) METMST1RAURKAJAK2ABL1
Mk-2461 SCHEMBL2326906 0.86 MET (1.00) METMST1RAURKAJAK2ABL1
Mk-2461 SCHEMBL93526 0.86 MET (1.00) METMST1RAURKAJAK2ABL1
Mk-2461 SCHEMBL2326614 0.86 MET (1.00) METMST1RAURKAJAK2ABL1
Mk-2461 SCHEMBL29356324 0.86 MET (1.00) METMST1RAURKAJAK2ABL1
Mk-2461 SCHEMBL29394185 0.86 MET (1.00) METMST1RAURKAJAK2ABL1
SCHEMBL2450073 0.85 MET (0.67) METMST1RAURKAJAK2ABL1
Mk-2461 SCHEMBL1270764 0.85 MET (0.98) METMST1RAURKAJAK2ABL1
Mk-2461 SCHEMBL1269865 0.85 MET (0.98) METMST1RAURKAJAK2ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896421-B1 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK SHARP & DOHME (US) 2011-09-14 EP claimed
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MERCK SHARP & DOHME LLC 2009-08-06 US claimed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US claimed
US-20060293358-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2006-12-28 US claimed
US-8207186-B2 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase MET MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
US-8207186-B2 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase MET MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
US-8207186-B2 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase MET MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
EP-1896421-B1 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK SHARP & DOHME (US) 2011-09-14 EP disclosed
EP-1896421-B1 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK SHARP & DOHME (US) 2011-09-14 EP disclosed
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MERCK SHARP & DOHME LLC 2009-08-06 US disclosed
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MERCK SHARP & DOHME LLC 2009-08-06 US disclosed
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MERCK SHARP & DOHME LLC 2009-08-06 US disclosed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
WO-2007002254-A2 BENZOCYCLOHEPTAPYRIDINES AS INHIBITORS OF THE RECEPTOR TYROSINE KINASE MET MERCK & CO., INC. (US) 2007-01-04 WO disclosed
US-20060293358-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2006-12-28 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-20060293358-A1 Tyrosine kinase inhibitors ABL1, ERBB2, RET MET 4/4885MST1R 163/4885AURKA 464/4885
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MET, RET, ERBB2 MET 1/4885MST1R 62/4885AURKA 832/4885

“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.