SCHEMBL6473559

SCHEMBL6473559

CS(=O)(=O)O.CS(=O)(=O)O.NC(=O)c1cc(Cc2nnc(Nc3ccc(Cl)cc3)c3ccccc23)ccn1

nearest known ligand 0.66

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 20)

geneUniProtsupporting neighboursconfidence
KDR known ✓ P35968 19/20 0.66
FLT1 known ✓ P17948 14/20 0.66
PDGFRB known ✓ P09619 6/20 0.59
KIT known ✓ P10721 5/20 0.59
FLT4 known ✓ P35916 3/20 0.59
EGFR known ✓ P00533 1/20 0.59
CSF1R P07333 2/20 0.59
MAP3K20 Q9NYL2 2/20 0.59
CIT O14578 1/20 0.59
HLA-A P04439 1/20 0.59
RET P07949 1/20 0.59
PDGFRA P16234 1/20 0.59
RPS6KB1 P23443 1/20 0.59
FRK P42685 1/20 0.59
CDK8 P49336 1/20 0.59
DDR1 Q08345 1/20 0.59
STK3 Q13188 1/20 0.59
PTK6 Q13882 1/20 0.59
MAP3K19 Q56UN5 1/20 0.59
CDK19 Q9BWU1 1/20 0.59

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
SCHEMBL6482081 0.95 KDR (0.69) KDRFLT1PDGFRBKITFLT4
Hydrochloric Acid SCHEMBL6474025 0.94 KDR (0.68) KDRFLT1PDGFRBKITFLT4
SCHEMBL6474354 0.91 KDR (0.66) KDRFLT1PDGFRBKITFLT4
SCHEMBL6479831 0.87 KDR (0.71) KDRFLT1PDGFRBKITFLT4
Hydrochloric Acid SCHEMBL6480219 0.86 KDR (0.70) KDRFLT1PDGFRBKITFLT4
SCHEMBL6497078 0.85 KDR (0.58) KDRFLT1PDGFRBKITFLT4
Vatalanib SCHEMBL6607537 0.83 KDR (0.84) KDRFLT1PDGFRBKITFLT4
SCHEMBL6482138 0.80 KDR (0.60) KDRFLT1PDGFRBKITFLT4
SCHEMBL6481343 0.80 KDR (0.53) KDRFLT1PDGFRBKITFLT4
SCHEMBL6498239 0.80 KDR (1.00) KDRFLT1PDGFRBKITFLT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903101-B1 Substituted pyridazines and fused pyridazines with angiogenesis inhibiting activity BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-07 US claimed
US-20050019424-A1 Anti-angiogenesis combination therapies comprising pyridazine or pyridine derivatives BAYER HEALTHCARE LLC 2005-01-27 US claimed
EP-1467736-A2 ANTI-ANGIOGENESIS COMBINATION THERAPIES COMPRISING PYRIDAZINE OR PYRIDINE DERIVATIVES Bayer Pharmaceuticals Corporation (US) 2004-10-20 EP claimed
EP-1208096-B1 SUBSTITUTED PYRIDAZINES AND FUSED PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER AG (US) 2004-04-28 EP claimed
WO-2003059354-A2 ANTI-ANGIOGENESIS COMBINATION THERAPIES COMPRISING PYRIDAZINE OR PYRIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2003-07-24 WO claimed
EP-1208096-A1 SUBSTITUTED PYRIDAZINES AND FUSED PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY Bayer Corporation (US) 2002-05-29 EP claimed
WO-2001010859-A1 SUBSTITUTED PYRIDAZINES AND FUSED PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORPORATION (US) 2001-02-15 WO claimed
US-6903101-B1 Substituted pyridazines and fused pyridazines with angiogenesis inhibiting activity BAYER PHARMACEUTICALS CORPORATION (US) 2005-06-07 US disclosed
EP-1208096-B1 SUBSTITUTED PYRIDAZINES AND FUSED PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER AG (US) 2004-04-28 EP disclosed
EP-1208096-A1 SUBSTITUTED PYRIDAZINES AND FUSED PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY Bayer Corporation (US) 2002-05-29 EP disclosed
WO-2001010859-A1 SUBSTITUTED PYRIDAZINES AND FUSED PYRIDAZINES WITH ANGIOGENESIS INHIBITING ACTIVITY BAYER CORPORATION (US) 2001-02-15 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-20050019424-A1 Anti-angiogenesis combination therapies comprising pyridazine or pyridine derivatives KDR, FLT4, FLT1 KDR 1/4885FLT1 3/4885PDGFRB 7/4885

“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.