SCHEMBL9907669

SCHEMBL9907669

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 1/20 0.47
CSNK2B P67870 1/20 0.47
CSNK2A1 P68400 4/20 0.47
PARP1 P09874 1/20 0.47
HTR5A P47898 3/20 0.42
DYRK1A Q13627 1/20 0.40
RORC P51449 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
NEK1 Q96PY6 2/20 0.38
MAP2K4 P45985 1/20 0.38
KIF11 P52732 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 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
SCHEMBL9907668 0.90 HTR5A (0.49) CSNK2A2CSNK2BCSNK2A1PARP1HTR5A
SCHEMBL9907648 0.90 HTR5A (0.50) CSNK2A2CSNK2BCSNK2A1PARP1HTR5A
SCHEMBL9907661 0.85 HTR5A (0.52) CSNK2A1PARP1HTR5AALDH1A1KIF11
SCHEMBL9907673 0.85 HTR5A (0.45) CSNK2A2CSNK2BCSNK2A1PARP1HTR5A
SCHEMBL9907730 0.84 MAP2K4 (0.46) CSNK2A2CSNK2BCSNK2A1HTR5ARAB9A
SCHEMBL9907679 0.83 HTR5A (0.44) CSNK2A2CSNK2BCSNK2A1HTR5ADYRK1A
SCHEMBL9907683 0.82 HTR5A (0.56) CSNK2A2CSNK2BCSNK2A1PARP1HTR5A
SCHEMBL9909276 0.82 HTR5A (0.43) CSNK2A2CSNK2BCSNK2A1HTR5ARAB9A
SCHEMBL9907744 0.81 HTR5A (0.52) CSNK2A2CSNK2BCSNK2A1HTR5ARORC
SCHEMBL9907758 0.81 HTR5A (0.43) CSNK2A2CSNK2BCSNK2A1PARP1HTR5A

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 CSNK2A2 4132/4885CSNK2B 4303/4885CSNK2A1 4309/4885

“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.