SCHEMBL1698712

SCHEMBL1698712

CN1C(C)(C)CC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)F)no4)cc3)nc2)CC1(C)C.CS(=O)(=O)O

nearest known ligand 0.68

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 13)

geneUniProtsupporting neighboursconfidence
PDGFRB known ✓ P09619 3/20 0.68
KIT known ✓ P10721 3/20 0.68
BRAF known ✓ P15056 1/20 0.39
KDR known ✓ P35968 1/20 0.38
FLT3 P36888 13/20 0.68
CSF1R P07333 12/20 0.68
PDGFRA P16234 3/20 0.68
RAF1 P04049 2/20 0.43
MAPK14 Q16539 2/20 0.42
EPHX2 P34913 1/20 0.39
NTRK1 P04629 1/20 0.38
RET P07949 1/20 0.38
EPHB2 P29323 1/20 0.38

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
SCHEMBL1698846 0.97 FLT3 (0.72) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL1698962 0.95 FLT3 (0.71) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL1698764 0.91 FLT3 (0.75) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL9978910 0.88 CSF1R (0.61) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL1698582 0.87 FLT3 (0.72) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL1698717 0.86 FLT3 (0.52) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL1698939 0.85 CSF1R (0.80) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL20484791 0.85 FLT3 (0.94) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL1698796 0.85 FLT3 (0.94) FLT3CSF1RPDGFRBKITPDGFRA
SCHEMBL1698857 0.84 CSF1R (0.68) FLT3CSF1RPDGFRBKITPDGFRA

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-20130310357-A1 Azolyl Urea Compounds and Methods of Use Thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-11-21 US claimed
WO-2011150198-A1 AZOLYL UREA COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-12-01 WO claimed
US-9296722-B2 Azolyl urea compounds and methods of use thereof AMBIT BIOSCIENCES CORPORATION (US) 2016-03-29 US disclosed
US-20130310357-A1 Azolyl Urea Compounds and Methods of Use Thereof AMBIT BIOSCIENCES CORPORATION (US) 2013-11-21 US disclosed
WO-2011150198-A1 AZOLYL UREA COMPOUNDS AND METHODS OF USE THEREOF AMBIT BIOSCIENCES CORPORATION (US) 2011-12-01 WO 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-20130310357-A1 Azolyl Urea Compounds and Methods of Use Thereof CSF1R, CSF3R, ARG1 PDGFRB 733/4885KIT 310/4885BRAF 1247/4885

“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.