SCHEMBL1255353

SCHEMBL1255353

CC(C)(c1cc(NC(=O)Nc2ccc(-c3ccc(NCCN4CCOCC4)nc3)cc2)no1)C(F)(F)F.CS(=O)(=O)O

nearest known ligand 0.58

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 9)

geneUniProtsupporting neighboursconfidence
KDR known ✓ P35968 3/20 0.58
PDGFRB known ✓ P09619 2/20 0.58
KIT known ✓ P10721 2/20 0.58
RET P07949 14/20 0.58
CSF1R P07333 2/20 0.58
DDR1 Q08345 2/20 0.58
FLT3 P36888 5/20 0.55
SLC2A1 P11166 1/20 0.52
AURKA O14965 1/20 0.46

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
SCHEMBL12918319 0.97 RET (0.61) RETKDRCSF1RPDGFRBKIT
SCHEMBL1254965 0.91 FLT3 (0.55) RETKDRCSF1RPDGFRBKIT
SCHEMBL1257973 0.89 FLT3 (0.66) RETKDRCSF1RPDGFRBKIT
SCHEMBL1255252 0.89 KIT (0.46) RETKDRCSF1RPDGFRBKIT
SCHEMBL1256934 0.88 FLT3 (0.48) RETKDRCSF1RPDGFRBKIT
SCHEMBL14673908 0.88 FLT3 (0.57) RETKDRCSF1RPDGFRBKIT
SCHEMBL1257127 0.85 KIT (0.48) RETKDRCSF1RPDGFRBKIT
SCHEMBL14674154 0.85 FLT3 (0.52) RETKDRCSF1RPDGFRBKIT
SCHEMBL1257378 0.84 FLT3 (0.48) RETKDRCSF1RPDGFRBKIT
SCHEMBL1255922 0.84 RET (0.61) RETKDRCSF1RPDGFRBKIT

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
US-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-02-07 US claimed
EP-2467137-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-06-27 EP claimed
WO-2011022473-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-02-24 WO claimed
US-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2013-02-07 US disclosed
EP-2467137-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF Ambit Biosciences Corporation (US) 2012-06-27 EP 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-20130035326-A1 BIARYL COMPOUNDS AND METHODS OF USE THEREOF FLT3, CSF3R, CSF1R KDR 27/4885PDGFRB 18/4885KIT 4/4885

“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.