SCHEMBL9907704

SCHEMBL9907704

COC(=O)c1ccc2c(F)cnc(-c3ccc(Cl)cc3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.54
CSNK2B P67870 2/20 0.54
MAP2K4 P45985 2/20 0.52
KDR P35968 1/20 0.45
HTR5A P47898 8/20 0.44
GABRA5 P31644 1/20 0.43
DHODH Q02127 1/20 0.43
MAPT P10636 2/20 0.43
TDO2 P48775 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CSNK2A1 P68400 2/20 0.41
MEN1 O00255 1/20 0.41
CASP3 P42574 1/20 0.41
KMT2A Q03164 1/20 0.41
SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL9907703 0.90 MAP2K4 (0.54) CSNK2A2CSNK2BMAP2K4HTR5AGABRA5
SCHEMBL9907701 0.88 HTR5A (0.47) MAP2K4HTR5AGABRA5DHODHMEN1
SCHEMBL9907514 0.86 HTR5A (0.48) CSNK2A2CSNK2BMAP2K4HTR5AGABRA5
SCHEMBL9907692 0.85 HTR5A (0.55) CSNK2A2CSNK2BMAP2K4HTR5AMAPT
SCHEMBL9909264 0.85 EGLN2 (0.45) CSNK2A2CSNK2BMAP2K4HTR5A
SCHEMBL9907518 0.85 MAP2K4 (0.44) CSNK2A2CSNK2BMAP2K4HTR5AGABRA5
SCHEMBL9907713 0.85 CDH1 (0.51) CSNK2A2CSNK2BMAP2K4HTR5ADHODH
SCHEMBL9907754 0.84 HTR5A (0.47) CSNK2A2CSNK2BMAP2K4HTR5AMAPT
SCHEMBL9908022 0.83 MAP2K4 (0.52) CSNK2A2CSNK2BMAP2K4HTR5AGABRA5
SCHEMBL9909280 0.83 SCN9A (0.52) CSNK2A2CSNK2BMAP2K4HTR5AMEN1

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 4303/4885MAP2K4 3941/4885

“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.