SCHEMBL20548975

SCHEMBL20548975

COc1cc(F)c([N+](=O)[O-])cc1Nc1ncc(-c2ccc(OCc3ccccn3)c(F)c2)c(N)n1.CS(=O)(=O)O

nearest known ligand 0.38

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
FLT1 known ✓ P17948 2/20 0.36
FLT4 known ✓ P35916 2/20 0.36
KDR known ✓ P35968 2/20 0.36
ROCK2 known ✓ O75116 1/20 0.36
ABL1 known ✓ P00519 1/20 0.36
KIT known ✓ P10721 1/20 0.36
ROCK1 known ✓ Q13464 1/20 0.36
EGFR known ✓ P00533 2/20 0.35
FGFR4 P22455 2/20 0.38
SYK P43405 8/20 0.37
AURKB Q96GD4 3/20 0.36
FGFR1 P11362 2/20 0.36
FGFR3 P22607 2/20 0.36
AXL P30530 2/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
CHEK1 O14757 1/20 0.36
DCLK1 O15075 1/20 0.36
CHUK O15111 1/20 0.36
PDPK1 O15530 1/20 0.36

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
SCHEMBL20549039 0.94 EGFR (0.40) FGFR4SYKFGFR1FGFR3LCK
SCHEMBL35210304 0.82 AURKA (0.40) AURKBFLT1KDRCDC7DAPK3
SCHEMBL35210301 0.77 EGFR (0.45) AURKBLCKIGF1RRPS6KB1ERBB4
SCHEMBL19089463 0.73 EGFR (0.47) AURKBLCKIGF1RRPS6KB1ERBB4
SCHEMBL29597402 0.70 KMT2A (0.47) MAPK1ALDH1A1EGFR
SCHEMBL30948589 0.69 CCNT1 (0.42) AURKBFLT1FLT4KDRFGFR1
SCHEMBL18000840 0.69 TTK (0.48) FGFR4FLT1FLT4KDRFGFR1
SCHEMBL21835298 0.67 MGMT (0.43) SYKAURKBALDH1A1INCENPMGMT
SCHEMBL18001199 0.67 EGFR (0.43) FGFR4AURKBFLT1FLT4KDR
SCHEMBL22509271 0.66 PTK2 (0.48) FGFR4AURKBFLT1FLT4KDR

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
US-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-07-09 US disclosed
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY ANCUREALL PHARMACEUTICAL (SHANGHAI) CO., LTD. (CN) 2019-01-17 US disclosed
EP-3398939-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND APPLICATIONS THEREOF IN PHARMACY Ancureall Pharmaceutical (Shanghai) Co., Ltd. (CN) 2018-11-07 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 (2 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-10342796-B2 Acrylanilide derivative, preparation method, and applications thereof in pharmacy EGFR, ABL1, CSNK1A1 FLT1 871/4885FLT4 888/4885KDR 1299/4885
US-20190015413-A1 ACRYLANILIDE DERIVATIVE, PREPARATION METHOD, AND APPLICATIONS THEREOF IN PHARMACY EGFR, ABL1, CSNK1A1 FLT1 871/4885FLT4 888/4885KDR 1299/4885

“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.