SCHEMBL9907771

SCHEMBL9907771

O=C(O)c1ccc2c(F)cnc(-c3ccc(F)cc3O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 11/20 0.56
MAP2K4 P45985 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPK6 Q16659 1/20 0.41
MAP4K4 O95819 1/20 0.40
AXL P30530 1/20 0.40
KDM4A O75164 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DHFR P00374 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
LMNA P02545 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
SCHEMBL9907507 0.91 HTR5A (0.57) HTR5AMAP2K4MAPK1MAPK6MAP4K4
SCHEMBL9908004 0.87 HTR5A (0.51) HTR5AMAP2K4CSNK2A2CSNK2BTTR
SCHEMBL9907761 0.87 HTR5A (0.54) HTR5AMAP2K4MAPK1MAPK6MAP4K4
SCHEMBL9907542 0.87 HTR5A (0.72) HTR5AMAP2K4MAPK1MAPK6MAP4K4
SCHEMBL9908005 0.84 HTR5A (0.51) HTR5AAXLCSNK2A2CSNK2BADH5
SCHEMBL9909195 0.84 HTR5A (0.51) HTR5AMAPK1CA1CA2LMNA
SCHEMBL9907977 0.83 HTR5A (0.80) HTR5A
SCHEMBL9907712 0.82 CSNK2A2 (0.52) HTR5AMAP2K4MAPK1MAPK6MAP4K4
SCHEMBL9907639 0.81 HTR5A (0.70) HTR5AAXLKDM5AKDM4CKDM5B
SCHEMBL9907521 0.81 HTR5A (0.52) HTR5AMAP2K4TTRADH5

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 1/4885MAP2K4 3941/4885MAPK1 3555/4885

“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.