SCHEMBL9908021

SCHEMBL9908021

O=C(O)c1ccc2c(F)cnc(-c3ncc(F)cc3F)c2c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 13/20 0.55
HCAR2 Q8TDS4 1/20 0.39
CSNK2A2 P19784 2/20 0.38
CSNK2B P67870 2/20 0.38
LDHA P00338 1/20 0.38
MAPK1 P28482 1/20 0.38
MAP2K4 P45985 1/20 0.38
MAPK6 Q16659 1/20 0.38
ADH5 P11766 1/20 0.37

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
SCHEMBL9907672 0.88 HTR5A (0.71) HTR5ACSNK2A2CSNK2B
SCHEMBL9907505 0.86 HTR5A (0.55) HTR5ACSNK2A2CSNK2BLDHAMAPK1
SCHEMBL9104476 0.84 HTR5A (0.51) HTR5AMAPK1MAP2K4
SCHEMBL9907507 0.83 HTR5A (0.57) HTR5AMAPK1MAP2K4MAPK6ADH5
SCHEMBL9907712 0.83 CSNK2A2 (0.52) HTR5ACSNK2A2CSNK2BLDHAMAPK1
SCHEMBL9908041 0.82 HTR5A (0.81) HTR5A
SCHEMBL9907710 0.81 HTR5A (0.52) HTR5ACSNK2A2CSNK2BLDHAMAP2K4
SCHEMBL9907761 0.80 HTR5A (0.54) HTR5ACSNK2A2CSNK2BMAPK1MAP2K4
SCHEMBL9907630 0.80 HTR5A (0.69) HTR5AHCAR2CSNK2A2CSNK2BADH5
SCHEMBL9907523 0.80 HTR5A (0.69) HTR5ACSNK2A2CSNK2BMAP2K4

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 HTR5A 1/4885HCAR2 329/4885CSNK2A2 4132/4885

“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.