SCHEMBL9909264

SCHEMBL9909264

COC(=O)c1ccc2c(F)cnc(-c3ccc(C#N)cc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.45
TRPA1 O75762 1/20 0.44
MAP2K4 P45985 2/20 0.44
HTR5A P47898 5/20 0.41
PLAU P00749 1/20 0.40
MAP4K4 O95819 2/20 0.39
MINK1 Q8N4C8 2/20 0.39
TNIK Q9UKE5 2/20 0.39
MAPK1 P28482 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
XDH P47989 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
KDM5A P29375 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
EGLN1 Q9GZT9 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
SCHEMBL9907703 0.87 MAP2K4 (0.54) MAP2K4HTR5AMAPK1CSNK2A2CSNK2B
SCHEMBL9909244 0.86 SLC22A12 (0.53) EGLN2TRPA1MAP2K4HTR5AMAP4K4
SCHEMBL9907704 0.85 CSNK2A2 (0.54) MAP2K4HTR5ACSNK2A2CSNK2B
SCHEMBL9907701 0.84 HTR5A (0.47) MAP2K4HTR5AMAPK1CYP11B1CYP11B2
SCHEMBL9907518 0.82 MAP2K4 (0.44) MAP2K4HTR5AMAPK1CSNK2A2CSNK2B
SCHEMBL9909308 0.80 HTR5A (0.64) HTR5APLAU
SCHEMBL9104476 0.77 HTR5A (0.51) MAP2K4HTR5AMAPK1
SCHEMBL12874614 0.77 HTR5A (0.54) MAP2K4HTR5AMAPK1
SCHEMBL9907517 0.77 HTR5A (0.63) MAP2K4HTR5A
SCHEMBL9907626 0.77 HTR5A (0.63) MAP2K4HTR5AMAPK1

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 4 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
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP 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 EGLN2 4832/4885TRPA1 2986/4885MAP2K4 3941/4885

“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.