SCHEMBL1698544

SCHEMBL1698544

CC(C)N1CCC(Oc2ccc(C(=O)Nc3ccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)cc3)nc2)CC1.CS(=O)(=O)O

nearest known ligand 0.81

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 11)

geneUniProtsupporting neighboursconfidence
PDGFRB known ✓ P09619 5/20 0.65
KIT known ✓ P10721 5/20 0.65
KDR known ✓ P35968 1/20 0.43
BRAF known ✓ P15056 1/20 0.41
CSF1R P07333 18/20 0.81
FLT3 P36888 18/20 0.81
PDGFRA P16234 4/20 0.65
RET P07949 2/20 0.45
DDR1 Q08345 1/20 0.43
RAF1 P04049 1/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL1698616 0.97 CSF1R (0.85) CSF1RFLT3PDGFRBKITPDGFRA
SCHEMBL1698610 0.93 FLT3 (0.94) CSF1RFLT3PDGFRBKITPDGFRA
SCHEMBL15388373 0.90 CSF1R (0.81) CSF1RFLT3PDGFRBKITPDGFRA
SCHEMBL1698696 0.89 FLT3 (1.00) CSF1RFLT3PDGFRBKITPDGFRA
SCHEMBL15388551 0.88 FLT3 (0.85) CSF1RFLT3PDGFRBKITPDGFRA
SCHEMBL15388587 0.88 FLT3 (0.85) CSF1RFLT3PDGFRBKITPDGFRA
SCHEMBL1699094 0.88 FLT3 (0.85) CSF1RFLT3PDGFRBKITPDGFRA
SCHEMBL1698613 0.87 CSF1R (0.85) CSF1RFLT3PDGFRBKITPDGFRA
SCHEMBL1698545 0.85 FLT3 (0.60) CSF1RFLT3PDGFRBKITPDGFRA
SCHEMBL1698863 0.85 FLT3 (0.91) CSF1RFLT3PDGFRBKITPDGFRA

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 310/4885KDR 1365/4885

“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.