SCHEMBL680356

SCHEMBL680356

CS(=O)(=O)O.Cc1cc(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)Nc1ccc(Oc2cc3cnn(C)c3cc2-c2cn[nH]c2)c(F)c1

nearest known ligand 0.78

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR known ✓ P35968 1/20 0.78
AXL P30530 19/20 0.78
MET P08581 13/20 0.78
MERTK Q12866 4/20 0.78
FLT3 P36888 2/20 0.78
PLK4 O00444 1/20 0.78
NTRK1 P04629 1/20 0.78
RET P07949 1/20 0.78
MST1R Q04912 1/20 0.78
DDR1 Q08345 1/20 0.78
CAMK4 Q16566 1/20 0.78
DDR2 Q16832 1/20 0.78
MKNK1 Q9BUB5 1/20 0.78
MKNK2 Q9HBH9 1/20 0.78
TYRO3 Q06418 3/20 0.43

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
SCHEMBL680715 0.97 AXL (0.82) AXLMETMERTKFLT3PLK4
SCHEMBL680261 0.95 AXL (0.71) AXLMETMERTKFLT3PLK4
SCHEMBL12190617 0.93 MET (0.74) AXLMETMERTKFLT3PLK4
SCHEMBL679396 0.92 AXL (0.66) AXLMETMERTKFLT3PLK4
SCHEMBL19462918 0.91 AXL (0.80) AXLMETMERTKFLT3PLK4
SCHEMBL12190629 0.89 AXL (0.69) AXLMETMERTKFLT3PLK4
Merestinib SCHEMBL679002 0.88 AXL (1.00) AXLMETMERTKFLT3PLK4
Merestinib SCHEMBL29493094 0.88 AXL (1.00) AXLMETMERTKFLT3PLK4
SCHEMBL680712 0.88 MET (0.71) AXLMETMERTKFLT3PLK4
Merestinib SCHEMBL680728 0.87 AXL (0.99) AXLMETMERTKFLT3PLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43878-E1 Amidophenoxyindazoles useful as inhibitors of c-Met ELI LILLY AND COMPANY (US) 2012-12-25 US disclosed
EP-2310382-B1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET LILLY CO ELI (US) 2012-02-22 EP disclosed
US-8030302-B2 Amidophenoxyindazoles useful as inhibitors of c-Met ELI LILLY AND COMPANY (US) 2011-10-04 US disclosed
EP-2310382-A1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET Eli Lilly & Company (US) 2011-04-20 EP disclosed
WO-2010011538-A1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET ELI LILLY AND COMPANY (US) 2010-01-28 WO disclosed
US-20100022529-A1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET ELI LILLY AND COMPANY 2010-01-28 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 (1 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-20100022529-A1 AMIDOPHENOXYINDAZOLES USEFUL AS INHIBITORS OF C-MET MET, MYCBP, MYC KDR 180/4885AXL 113/4885MET 1/4885

“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.