SCHEMBL5069862

SCHEMBL5069862

CS(=O)(=O)O.Cn1cc(-c2cnc3nccc-3[nH]2)c2cc(C(=O)N(O)C(C)(C)C)ccc21

nearest known ligand 0.43

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
ABL1 known ✓ P00519 3/20 0.34
PDGFRB known ✓ P09619 3/20 0.34
FLT1 known ✓ P17948 1/20 0.34
KDR known ✓ P35968 1/20 0.34
ROCK1 known ✓ Q13464 1/20 0.34
F2 known ✓ P00734 1/20 0.32
SYK P43405 3/20 0.43
CA9 Q16790 3/20 0.35
CA12 O43570 2/20 0.35
LCK P06239 4/20 0.35
IGF1R P08069 4/20 0.35
GSK3A P49840 4/20 0.35
GSK3B P49841 4/20 0.35
CDK7 P50613 4/20 0.35
AURKB Q96GD4 4/20 0.35
LRRK2 Q5S007 3/20 0.35
JAK2 O60674 3/20 0.35
BTK Q06187 1/20 0.35
AURKA O14965 3/20 0.34
PAK4 O96013 3/20 0.34

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
SCHEMBL1777448 0.83 GSK3B (0.55) SYKCA9CA12LCKIGF1R
SCHEMBL5069861 0.82 SYK (0.66) SYKCA9CA12SCN9ASCN5A
SCHEMBL3100540 0.78 SYK (0.54) SYKCA9CA12LCKIGF1R
SCHEMBL3091781 0.72 IGF1R (0.44) SYKLCKIGF1RGSK3AGSK3B
SCHEMBL1777871 0.68 GSK3B (0.62) SYKLCKIGF1RGSK3AGSK3B
SCHEMBL1779619 0.66 SYK (0.50) SYKCA9CA12LCKIGF1R
SCHEMBL1777444 0.66 SYK (0.73) SYKCA9LCKIGF1RGSK3A
SCHEMBL2319584 0.65 SYK (0.46) SYKLCKIGF1RGSK3AGSK3B
SCHEMBL12605974 0.64 IGF1R (0.49) SYKCA9CA12LCKIGF1R
SCHEMBL1777163 0.64 SYK (0.73) SYKCA9CA12LCKIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1990343-A2 Azaindoles Aventis Pharma Limited (GB) 2008-11-12 EP disclosed
US-6770643-B2 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-08-03 US disclosed
US-20040009983-A1 Azaindoles AVENTIS PHARMA LIMITED (GB) 2004-01-15 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-20040009983-A1 Azaindoles CCNY, CCNO, CKS2 ABL1 148/4885PDGFRB 3576/4885FLT1 3600/4885

“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.