SCHEMBL9105219

SCHEMBL9105219

COC(=O)c1ccc2c(Cl)cnc(-c3c(F)cncc3F)c2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 11/20 0.54
CSNK2A1 P68400 2/20 0.43
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
CASP3 P42574 1/20 0.40
KMT2A Q03164 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
ACLY P53396 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RORC P51449 1/20 0.38
TTR P02766 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
SCHEMBL9907437 0.91 HTR5A (0.54) HTR5ACSNK2A1MEN1MAPTCASP3
SCHEMBL9907626 0.89 HTR5A (0.63) HTR5ACSNK2A1CYP1A2CYP3A4CYP2C9
SCHEMBL9907998 0.88 HTR5A (0.52) HTR5ACSNK2A1MEN1MAPTCASP3
SCHEMBL9907664 0.88 HTR5A (0.67) HTR5ACSNK2A1CSNK2A2CSNK2BMEN1
SCHEMBL9907748 0.87 HTR5A (0.55) HTR5ACSNK2A1CYP1A2CYP3A4CYP2C9
SCHEMBL9907660 0.86 HTR5A (0.60) HTR5ACSNK2A1MAPTALDH1A1RORC
SCHEMBL9907774 0.86 HTR5A (0.51) HTR5ACSNK2A1CSNK2A2CSNK2BCYP1A2
SCHEMBL9907686 0.86 HTR5A (0.60) HTR5ACSNK2A1CSNK2A2CSNK2BMEN1
SCHEMBL9907668 0.85 HTR5A (0.49) HTR5ACSNK2A1CSNK2A2CSNK2BMEN1
SCHEMBL9908008 0.85 HTR5A (0.51) HTR5ACSNK2A1CSNK2A2CSNK2BMEN1

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
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
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.