SCHEMBL9907667

SCHEMBL9907667

O=C(O)c1ccc2c(F)cnc(-c3ccncc3F)c2c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 10/20 0.51
CSNK2A2 P19784 5/20 0.50
CSNK2B P67870 5/20 0.50
DHODH Q02127 1/20 0.43
ADH5 P11766 1/20 0.42
CSNK2A1 P68400 2/20 0.40
PARP1 P09874 1/20 0.40
SLC22A12 Q96S37 1/20 0.40

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
SCHEMBL9907767 0.89 HTR5A (0.54) HTR5ACSNK2A2CSNK2BDHODHADH5
SCHEMBL9907677 0.89 HTR5A (0.53) HTR5ACSNK2A2CSNK2BDHODHADH5
SCHEMBL9907654 0.89 HTR5A (0.54) HTR5ACSNK2A2CSNK2BCSNK2A1PARP1
SCHEMBL9907665 0.85 HTR5A (0.47) HTR5ACSNK2A2CSNK2BDHODHCSNK2A1
SCHEMBL9907639 0.84 HTR5A (0.70) HTR5ACSNK2A2CSNK2BDHODH
SCHEMBL9907931 0.83 HTR5A (0.76) HTR5A
SCHEMBL9907507 0.83 HTR5A (0.57) HTR5AADH5
SCHEMBL9907630 0.82 HTR5A (0.69) HTR5ACSNK2A2CSNK2BADH5
SCHEMBL9908005 0.82 HTR5A (0.51) HTR5ACSNK2A2CSNK2BADH5SLC22A12
SCHEMBL9907521 0.81 HTR5A (0.52) HTR5AADH5

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 1/4885CSNK2A2 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.