SCHEMBL9907672

SCHEMBL9907672

O=C(O)c1ccc2c(F)cnc(-c3ncc(F)cc3Cl)c2c1

nearest known ligand 0.71

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 12/20 0.71
NAPRT Q6XQN6 1/20 0.40
CSNK2A2 P19784 2/20 0.38
CSNK2B P67870 2/20 0.38
CSNK2A1 P68400 2/20 0.38
TSHR P16473 1/20 0.38
AURKA O14965 2/20 0.37
GRM4 Q14833 1/20 0.37
JAK2 O60674 1/20 0.37
AURKB Q96GD4 1/20 0.37

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
SCHEMBL9908021 0.88 HTR5A (0.55) HTR5ACSNK2A2CSNK2B
SCHEMBL9907670 0.85 HTR5A (0.65) HTR5ACSNK2A2CSNK2BCSNK2A1
SCHEMBL9907542 0.85 HTR5A (0.72) HTR5ANAPRT
SCHEMBL9104920 0.83 HTR5A (1.00) HTR5A
SCHEMBL9907689 0.82 HTR5A (0.65) HTR5ANAPRTCSNK2A2CSNK2BCSNK2A1
SCHEMBL9907695 0.82 HTR5A (0.65) HTR5AAURKA
SCHEMBL9907640 0.81 HTR5A (0.71) HTR5ACSNK2A2CSNK2BAURKAJAK2
SCHEMBL9907713 0.80 CDH1 (0.51) HTR5ACSNK2A2CSNK2BTSHR
SCHEMBL9907505 0.80 HTR5A (0.55) HTR5ACSNK2A2CSNK2BCSNK2A1
SCHEMBL9907712 0.80 CSNK2A2 (0.52) HTR5ACSNK2A2CSNK2B

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 1/4885NAPRT 1077/4885CSNK2A2 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.