SCHEMBL9907758

SCHEMBL9907758

COC(=O)c1ccc2c(Cl)cnc(-c3ccccc3C)c2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 4/20 0.43
MAPK14 Q16539 1/20 0.41
CSNK2A1 P68400 1/20 0.41
KIF11 P52732 1/20 0.40
DYRK1A Q13627 1/20 0.40
TP53 P04637 2/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
CSNK2A2 P19784 2/20 0.39
CSNK2B P67870 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
PARP1 P09874 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPK1 P28482 1/20 0.38
MAP2K4 P45985 1/20 0.38

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
SCHEMBL9907661 0.90 HTR5A (0.52) HTR5AMAPK14CSNK2A1KIF11TP53
SCHEMBL9908015 0.89 HTR5A (0.45) HTR5AMAPK14CSNK2A1TP53NR1H2
SCHEMBL9907989 0.87 TP53 (0.49) HTR5ACSNK2A1TP53NR1H2NR1H3
SCHEMBL9907697 0.87 MAP2K4 (0.45) HTR5ACSNK2A1DYRK1ATP53NR1H2
SCHEMBL9907674 0.87 HTR5A (0.52) HTR5AMAPK14CSNK2A1KIF11CSNK2A2
SCHEMBL9907766 0.87 HTR5A (0.52) HTR5ACSNK2A1DYRK1ATP53NR1H2
SCHEMBL9907768 0.86 CSNK2A2 (0.52) HTR5ACSNK2A2CSNK2BGPBAR1
SCHEMBL9907727 0.86 HTR5A (0.50) HTR5AMAPK14CSNK2A1KIF11TP53
SCHEMBL9907702 0.86 HTR5A (0.53) HTR5AKIF11DYRK1ACSNK2A2CSNK2B
SCHEMBL9907698 0.86 HTR5A (0.43) HTR5ACSNK2A1KIF11TP53NR1H2

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-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
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
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 WO 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 HTR5A 1/4885MAPK14 3810/4885CSNK2A1 4309/4885

“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.