SCHEMBL9907712

SCHEMBL9907712

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.52
CSNK2B P67870 1/20 0.52
MAP2K4 P45985 2/20 0.50
MAPK1 P28482 1/20 0.50
MAPK6 Q16659 1/20 0.50
BCL2L1 Q07817 1/20 0.49
BAD Q92934 1/20 0.49
HTR5A P47898 9/20 0.47
MAP4K4 O95819 1/20 0.46
NR4A2 P43354 1/20 0.43
KDM5A P29375 2/20 0.41
KDM4C Q9H3R0 2/20 0.41
KDM5B Q9UGL1 2/20 0.41
KDM2B Q8NHM5 1/20 0.41
HSP90AA1 P07900 1/20 0.41
LDHA P00338 1/20 0.41
KDM4A O75164 1/20 0.41
PTGFR P43088 1/20 0.40

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
SCHEMBL9907710 0.90 HTR5A (0.52) CSNK2A2CSNK2BMAP2K4HTR5AHSP90AA1
SCHEMBL9907713 0.89 CDH1 (0.51) CSNK2A2CSNK2BMAP2K4MAPK1MAPK6
SCHEMBL9907996 0.86 HTR5A (0.51) CSNK2A2CSNK2BMAP2K4MAPK1MAPK6
SCHEMBL9909244 0.85 SLC22A12 (0.53) CSNK2A2CSNK2BMAP2K4MAPK1MAPK6
SCHEMBL9907524 0.85 HTR5A (0.42) CSNK2A2CSNK2BMAP2K4MAPK1MAPK6
SCHEMBL9907703 0.84 MAP2K4 (0.54) CSNK2A2CSNK2BMAP2K4MAPK1HTR5A
SCHEMBL9907507 0.83 HTR5A (0.57) MAP2K4MAPK1MAPK6HTR5AMAP4K4
SCHEMBL9907505 0.83 HTR5A (0.55) CSNK2A2CSNK2BMAP2K4MAPK1MAPK6
SCHEMBL9908021 0.83 HTR5A (0.55) CSNK2A2CSNK2BMAP2K4MAPK1MAPK6
SCHEMBL9907771 0.82 HTR5A (0.56) CSNK2A2CSNK2BMAP2K4MAPK1MAPK6

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 CSNK2A2 4132/4885CSNK2B 4303/4885MAP2K4 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.