SCHEMBL9907648

SCHEMBL9907648

COC(=O)c1ccc2c(F)cnc(-c3ccncc3Cl)c2c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 10/20 0.50
CSNK2A1 P68400 4/20 0.47
CSNK2A2 P19784 1/20 0.45
CSNK2B P67870 1/20 0.45
PARP1 P09874 1/20 0.45
RORC P51449 1/20 0.42
SCN9A Q15858 1/20 0.38
DYRK1A Q13627 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
CASP3 P42574 1/20 0.38
KMT2A Q03164 1/20 0.38
SENP7 Q9BQF6 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
SCHEMBL9907669 0.90 CSNK2A2 (0.47) HTR5ACSNK2A1CSNK2A2CSNK2BPARP1
SCHEMBL9907665 0.90 HTR5A (0.47) HTR5ACSNK2A1CSNK2A2CSNK2BPARP1
SCHEMBL9907668 0.87 HTR5A (0.49) HTR5ACSNK2A1CSNK2A2CSNK2BPARP1
SCHEMBL9907637 0.86 HTR5A (0.66) HTR5AGPBAR1MAPT
SCHEMBL9907654 0.86 HTR5A (0.54) HTR5ACSNK2A1CSNK2A2CSNK2BPARP1
SCHEMBL9907515 0.85 HTR5A (0.67) HTR5ACSNK2A1PARP1SCN9AMEN1
SCHEMBL9907692 0.85 HTR5A (0.55) HTR5ACSNK2A1CSNK2A2CSNK2BSCN9A
SCHEMBL9907686 0.85 HTR5A (0.60) HTR5ACSNK2A1CSNK2A2CSNK2BPARP1
SCHEMBL9908001 0.83 HTR5A (0.53) HTR5ACSNK2A1CSNK2A2CSNK2BSCN9A
SCHEMBL9907664 0.83 HTR5A (0.67) HTR5ACSNK2A1CSNK2A2CSNK2BPARP1

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-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
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 1/4885CSNK2A1 4309/4885CSNK2A2 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.