SCHEMBL9907996

SCHEMBL9907996

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 4/20 0.51
CSNK2A2 P19784 4/20 0.50
CSNK2B P67870 4/20 0.50
PLAU P00749 3/20 0.49
MAP2K4 P45985 2/20 0.48
MAPK1 P28482 1/20 0.48
MAPK6 Q16659 1/20 0.48
BCL2L1 Q07817 1/20 0.46
BAD Q92934 1/20 0.46
MAP4K4 O95819 1/20 0.44
PLG P00747 1/20 0.43
ADH5 P11766 1/20 0.42
CDH1 P12830 1/20 0.42
APC P25054 1/20 0.42
CTNNB1 P35222 1/20 0.42
TCF7L2 Q9NQB0 1/20 0.42
NR4A2 P43354 1/20 0.41
GABRA5 P31644 1/20 0.41
NAPRT Q6XQN6 1/20 0.41

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
SCHEMBL9907716 0.87 PLAU (0.52) HTR5ACSNK2A2CSNK2BPLAUMAP2K4
SCHEMBL9907712 0.86 CSNK2A2 (0.52) HTR5ACSNK2A2CSNK2BMAP2K4MAPK1
SCHEMBL9908022 0.85 MAP2K4 (0.52) HTR5ACSNK2A2CSNK2BMAP2K4MAPK1
SCHEMBL9907688 0.84 HTR5A (0.60) HTR5ACSNK2A2CSNK2BPLAUMAP2K4
SCHEMBL9907733 0.83 HTR5A (0.72) HTR5APLAUADH5
SCHEMBL9907750 0.83 HTR5A (0.59) HTR5ACSNK2A2CSNK2BPLAUMAP2K4
SCHEMBL9908034 0.83 HTR5A (0.74) HTR5APLAU
SCHEMBL9907447 0.83 HTR5A (0.58) HTR5ACSNK2A2CSNK2BPLAUPLG
SCHEMBL9907678 0.81 HTR5A (0.57) HTR5APLAUMAP2K4MAPK1MAPK6
SCHEMBL9908017 0.81 HTR5A (0.54) HTR5APLAUMAP2K4MAPK1MAPK6

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
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 1/4885CSNK2A2 4132/4885CSNK2B 4303/4885

“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.