SCHEMBL9501129

SCHEMBL9501129

CCOC(=O)c1cn(C2CC2)c2cc(F)c(F)c(F)c2c1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.51
STAT3 P40763 2/20 0.50
HTT P42858 2/20 0.49
KMT2A Q03164 2/20 0.46
KCNH2 Q12809 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
TOP2A P11388 1/20 0.43
TOP2B Q02880 1/20 0.43
GSK3B P49841 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL263981 0.95 STAT3 (0.48) ADRB2STAT3HTTKMT2AKCNH2
SCHEMBL30181222 0.94 ADRB2 (0.50) ADRB2STAT3HTTKMT2AKCNH2
SCHEMBL5507636 0.94 ADRB2 (0.50) ADRB2STAT3HTTKMT2AKCNH2
SCHEMBL1344567 0.92 HSD17B10 (0.46) ADRB2STAT3HTTKMT2AKCNH2
SCHEMBL9501304 0.91 GSK3B (0.49) ADRB2STAT3HTTKMT2AKCNH2
SCHEMBL7584135 0.88 ADRB2 (0.47) ADRB2STAT3HTTKMT2AKCNH2
SCHEMBL8741004 0.85 ADRB2 (0.47) ADRB2STAT3HTTKMT2AKCNH2
SCHEMBL1346839 0.85 ADRB2 (0.55) ADRB2STAT3HTTKMT2AKCNH2
SCHEMBL9148194 0.85 ADRB2 (0.55) ADRB2STAT3HTTKMT2AKCNH2
SCHEMBL4306583 0.85 KMT2A (0.60) ADRB2STAT3HTTKMT2AKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2028157-A None JP disclosed
US-20230058189-A1 QUINOLIN-4-ONE AND 4(1H)-CINNOLINONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. (US) 2023-02-23 US disclosed
EP-0312085-B1 NOVEL QUINOLINE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND ANTIBACTERIAL AGENT CONTAINING THEM Dainippon Pharmaceutical Co., Ltd. (JP) 1993-05-12 EP disclosed
US-5164392-A Active against streptococci and staphylococci DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1992-11-17 US disclosed
US-5013841-A Oxo quinoline derivatives DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1991-05-07 US disclosed
JP-H0228157-A NOVEL PYRIDONECARBOXYLIC ACID DERIVATIVE, ITS ESTER AND SALT THEREOF DAINIPPON PHARMACEUT CO LTD 1990-01-30 JP disclosed
EP-0312085-A2 Novel quinoline derivatives, processes for preparation thereof and antibacterial agent containing them Dainippon Pharmaceutical Co., Ltd. (JP) 1989-04-19 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 (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-20230058189-A1 QUINOLIN-4-ONE AND 4(1H)-CINNOLINONE COMPOUNDS AND METHODS OF USING SAME DCX, NES, MCL1 ADRB2 4044/4885STAT3 499/4885HTT 3286/4885

“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.