SCHEMBL9104948

SCHEMBL9104948

COC(=O)c1ccc2c(Cl)cnc(OS(=O)(=O)C(F)(F)F)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.39
TP53 P04637 1/20 0.39
PDK1 Q15118 2/20 0.39
PDK2 Q15119 2/20 0.39
PDK3 Q15120 2/20 0.39
PDK4 Q16654 2/20 0.39
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOTUM Q6P988 2/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
ALPL P05186 1/20 0.37
DYRK1A Q13627 1/20 0.37
KDM4E B2RXH2 2/20 0.36
MAPK1 P28482 1/20 0.36
PLG P00747 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
SCHEMBL9909275 0.87 NOTUM (0.40) CSNK2A1ALDH1A1L3MBTL1CYP1A2CYP2C19
SCHEMBL9909162 0.86 NOTUM (0.45) CSNK2A1PDK2ALDH1A1L3MBTL1NOTUM
SCHEMBL16151819 0.86 NOTUM (0.45) CSNK2A1ALDH1A1L3MBTL1NOTUMDYRK1A
SCHEMBL9909284 0.84 NOTUM (0.36) CSNK2A1TP53ALDH1A1L3MBTL1NOTUM
SCHEMBL16502640 0.80 PDK1 (0.44) TP53PDK1PDK2PDK3PDK4
SCHEMBL9108406 0.79 KDM4E (0.42) TP53ALDH1A1L3MBTL1SMN1; SMN2NOTUM
SCHEMBL9909262 0.77 NOTUM (0.39) TP53ALDH1A1L3MBTL1NOTUMDYRK1A
SCHEMBL30757958 0.75 PDE4A (0.37) ALDH1A1CYP1A2CYP2C19SMN1; SMN2ALPL
SCHEMBL3901808 0.75 PDK2 (0.48) PDK1PDK2PDK3PDK4ALDH1A1
SCHEMBL15005629 0.75 PDE4A (0.37) ALDH1A1CYP1A2CYP2C19SMN1; SMN2ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP disclosed
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E CSNK2A1 4309/4885TP53 3013/4885PDK1 4867/4885

“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.