SCHEMBL9907352

SCHEMBL9907352

O=C(O)c1ccc2nccc(-c3ccc(Cl)cc3F)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.51
GRM2 Q14416 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
KDM5B Q9UGL1 2/20 0.43
KDM5A P29375 1/20 0.43
SRD5A1 P18405 1/20 0.43
SRD5A2 P31213 1/20 0.43
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
KDM4C Q9H3R0 3/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
MAPT P10636 1/20 0.41
TTR P02766 1/20 0.40
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
CDH1 P12830 1/20 0.40
APC P25054 1/20 0.40
CTNNB1 P35222 1/20 0.40
TCF7L2 Q9NQB0 1/20 0.40
GSK3A P49840 1/20 0.39

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
SCHEMBL9907372 0.91 MAPKAPK2 (0.48) KMOMAPKAPK2KDM5BKDM5ASRD5A1
SCHEMBL15500537 0.90 KMO (0.45) KMOGRM2MAPKAPK2MAPTIDO1
SCHEMBL9907342 0.87 SRD5A2 (0.49) MAPKAPK2SRD5A1SRD5A2CSNK2A2CSNK2B
SCHEMBL9907348 0.87 MAPKAPK2 (0.44) KMOGRM2MAPKAPK2KDM5BKDM5A
SCHEMBL9907349 0.85 HTT (0.45) KMOGRM2CSNK2A2CSNK2BKDM4C
SCHEMBL9907370 0.85 MAPKAPK2 (0.40) KMOMAPKAPK2KDM5BKDM5ACSNK2A2
SCHEMBL9907403 0.85 JAK2 (0.45) GRM2KDM5BKDM5AKDM4CMRGPRX4
SCHEMBL9907362 0.84 MAPKAPK2 (0.49) KMOMAPKAPK2SRD5A1SRD5A2CSNK2A2
SCHEMBL9907796 0.83 HTR5A (0.59) GRM2HTR5A
SCHEMBL9909211 0.82 PTGDR2 (0.45) SRD5A2KDM4CGSK3BAXL

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 KMO 559/4885GRM2 109/4885MAPKAPK2 4333/4885

“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.