SCHEMBL2456469

SCHEMBL2456469

COc1ccc(CN(CCNCC=Cc2ccc(Cl)cc2)S(=O)(=O)c2cccc3cnccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.56
PRKACA P17612 5/20 0.49
AKT2 P31751 4/20 0.49
ROCK2 O75116 4/20 0.49
MAPK1 P28482 3/20 0.49
AKT3 Q9Y243 3/20 0.49
PRKACG P22612 3/20 0.49
PRKACB P22694 3/20 0.49
PRKCG P05129 2/20 0.49
RPS6KB1 P23443 2/20 0.49
AKT1 P31749 2/20 0.49
PRKCZ Q05513 2/20 0.49
PRKCD Q05655 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ROCK1 Q13464 2/20 0.49
CHEK1 O14757 1/20 0.49
AURKA O14965 1/20 0.49
DAPK3 O43293 1/20 0.49
CHEK2 O96017 1/20 0.49
CDK1 P06493 1/20 0.49

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
SCHEMBL2456459 1.00 FLT3 (0.56) FLT3PRKACAAKT2ROCK2MAPK1
SCHEMBL9483651 0.90 FLT3 (0.59) FLT3PRKACAAKT2ROCK2MAPK1
SCHEMBL9483657 0.90 FLT3 (0.59) FLT3PRKACAAKT2ROCK2MAPK1
SCHEMBL9636456 0.89 FLT3 (0.54) FLT3PRKACAAKT2ROCK2MAPK1
SCHEMBL9636453 0.89 FLT3 (0.54) FLT3PRKACAAKT2ROCK2MAPK1
Hydrochloric Acid SCHEMBL9483443 0.88 FLT3 (0.54) FLT3PRKACAAKT2ROCK2MAPK1
SCHEMBL9635104 0.88 FLT3 (0.62) FLT3PRKACAAKT2ROCK2MAPK1
SCHEMBL9635101 0.88 FLT3 (0.62) FLT3PRKACAAKT2ROCK2MAPK1
SCHEMBL2456461 0.88 FLT3 (0.58) FLT3PRKACAAKT2ROCK2MAPK1
Hydrochloric Acid SCHEMBL9483085 0.87 FLT3 (0.62) FLT3PRKACAAKT2ROCK2MAPK1

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-5245034-A Compound having vessel smooth muscle relaxation activity Hidaka, Kiroyoshi (JP) 1993-09-14 US claimed
WO-2011146819-A2 METHODS AND COMPOSITIONS FOR TREATMENT NF-κB-MEDIATED AND α7 INTEGRIN-SUPPRESSED DISEASES DMD THERAPIES, LLC (US) 2011-11-24 WO disclosed
US-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY WHALEN ANNE 2011-09-15 US disclosed
US-5216150-A Muscle relaxant; enzyme inhibitor and platelet aggutination inhibitor Hidaka, Hiroyoshi (JP) 1993-06-01 US disclosed
US-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 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-20110224128-A1 METHODS AND COMPOSITIONS FOR TREATMENT OF MUSCULAR DYSTROPHY PYGM, TNNC1, MYOF FLT3 4730/4885PRKACA 1337/4885AKT2 2997/4885

“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.