SCHEMBL9907714

SCHEMBL9907714

COC(=O)c1ccc2c(Cl)cnc(-c3ccc(Cl)cc3F)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 6/20 0.55
MAP2K4 P45985 1/20 0.44
RORC P51449 2/20 0.43
GABRA5 P31644 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SCN9A Q15858 1/20 0.39
TTR P02766 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
BRD3 Q15059 1/20 0.38
ACLY P53396 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
SCHEMBL9907514 0.92 HTR5A (0.48) HTR5AMAP2K4RORCGABRA5CSNK2A2
SCHEMBL9908020 0.92 HTR5A (0.48) HTR5AMAP2K4CSNK2A2CSNK2BCSNK2A1
SCHEMBL9907731 0.91 HTR5A (0.67) HTR5AMAP2K4RORCGABRA5CSNK2A1
SCHEMBL9907759 0.90 HTR5A (0.54) HTR5ARORCGABRA5CSNK2A1MEN1
SCHEMBL9907730 0.90 MAP2K4 (0.46) HTR5AMAP2K4CSNK2A2CSNK2BCSNK2A1
SCHEMBL9907994 0.89 HTR5A (0.53) HTR5ARORCCSNK2A1MEN1MAPT
SCHEMBL9907744 0.88 HTR5A (0.52) HTR5AMAP2K4RORCCSNK2A2CSNK2B
SCHEMBL9907697 0.87 MAP2K4 (0.45) HTR5AMAP2K4GABRA5CSNK2A2CSNK2B
SCHEMBL9907674 0.87 HTR5A (0.52) HTR5ARORCCSNK2A2CSNK2BCSNK2A1
SCHEMBL9907745 0.86 HTR5A (0.55) HTR5AMAP2K4GABRA5CSNK2A2CSNK2B

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 HTR5A 1/4885MAP2K4 3941/4885RORC 3704/4885

“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.