SCHEMBL9909244

SCHEMBL9909244

N#Cc1ccc(-c2ncc(F)c3ccc(C(=O)O)cc23)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.53
MAP4K4 O95819 1/20 0.47
HTR5A P47898 8/20 0.42
EGLN2 Q96KS0 1/20 0.41
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
MAPK1 P28482 1/20 0.40
MAP2K4 P45985 1/20 0.40
MAPK6 Q16659 1/20 0.40
PTPN11 Q06124 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
NR3C2 P08235 4/20 0.38
TRPA1 O75762 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
SCHEMBL9909264 0.86 EGLN2 (0.45) SLC22A12MAP4K4HTR5AEGLN2CSNK2A2
SCHEMBL9907712 0.85 CSNK2A2 (0.52) MAP4K4HTR5ACSNK2A2CSNK2BMAPK1
SCHEMBL9907710 0.84 HTR5A (0.52) HTR5ACSNK2A2CSNK2BMAP2K4
SCHEMBL9909308 0.84 HTR5A (0.64) HTR5A
SCHEMBL9907713 0.83 CDH1 (0.51) MAP4K4HTR5ACSNK2A2CSNK2BMAPK1
SCHEMBL9907524 0.80 HTR5A (0.42) HTR5ACSNK2A2CSNK2BMAPK1MAP2K4
SCHEMBL9907523 0.75 HTR5A (0.69) HTR5ACSNK2A2CSNK2BMAP2K4
SCHEMBL9907630 0.75 HTR5A (0.69) HTR5ACSNK2A2CSNK2B
SCHEMBL9907505 0.75 HTR5A (0.55) HTR5ACSNK2A2CSNK2BMAPK1MAP2K4
SCHEMBL9908021 0.75 HTR5A (0.55) HTR5ACSNK2A2CSNK2BMAPK1MAP2K4

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 2 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-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 SLC22A12 1751/4885MAP4K4 3525/4885HTR5A 1/4885

“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.