SCHEMBL2447435

SCHEMBL2447435

CN(C)CCCn1cc(-c2cnc3ccc4ccc(NS(=O)(=O)N(C)C)cc4c(=O)c3c2)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 1.00
MST1R Q04912 2/20 0.75
KCNH2 Q12809 3/20 0.60
AURKA O14965 1/20 0.57
JAK2 O60674 1/20 0.57
ABL1 P00519 1/20 0.57
NTRK1 P04629 1/20 0.57
RET P07949 1/20 0.57
CYP3A4 P08684 1/20 0.57
PDGFRB P09619 1/20 0.57
FGFR1 P11362 1/20 0.57
CYP2C9 P11712 1/20 0.57
NQO2 P16083 1/20 0.57
FLT1 P17948 1/20 0.57
FGFR2 P21802 1/20 0.57
FGFR3 P22607 1/20 0.57
FECH P22830 1/20 0.57
FLT4 P35916 1/20 0.57
KDR P35968 1/20 0.57
FLT3 P36888 1/20 0.57

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
SCHEMBL2446960 0.92 MET (0.86) METMST1RKCNH2
SCHEMBL2446686 0.92 MET (1.00) METMST1RKCNH2AURKAJAK2
SCHEMBL2447304 0.91 MET (1.00) METMST1RKCNH2AURKAJAK2
SCHEMBL2325592 0.87 MET (0.77) METMST1RKCNH2
SCHEMBL2322863 0.86 MET (1.00) METMST1RKCNH2AURKAJAK2
SCHEMBL2447938 0.85 MET (0.74) METMST1RKCNH2
SCHEMBL2448787 0.82 MET (0.72) METMST1RKCNH2AURKAJAK2
SCHEMBL2450933 0.82 MET (0.82) METMST1RKCNH2
SCHEMBL2447158 0.81 MET (0.82) METMST1RKCNH2
SCHEMBL2444440 0.80 MET (1.00) METMST1RKCNH2AURKAJAK2

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 15 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
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
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 163/4885KCNH2 3777/4885
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MET, RET, ERBB2 MET 1/4885MST1R 62/4885KCNH2 3862/4885

“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.