SCHEMBL9907786

SCHEMBL9907786

CN/C(N)=N/C(=O)c1ccc2nccc(-c3c(F)cc(F)cc3F)c2c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 18/20 0.59
KDR P35968 2/20 0.36
TGFBR1 P36897 2/20 0.36
GAK O14976 1/20 0.35
RIPK2 O43353 1/20 0.35
MAP4K4 O95819 1/20 0.35
ACVR1B P36896 1/20 0.35
TGFBR2 P37173 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1E P49674 1/20 0.35
TGFB2 P61812 1/20 0.35
MAPK14 Q16539 1/20 0.35
MINK1 Q8N4C8 1/20 0.35
COQ8A Q8NI60 1/20 0.35
TNIK Q9UKE5 1/20 0.35
RIPK3 Q9Y572 1/20 0.35

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
Hydrochloric Acid SCHEMBL9103340 0.99 HTR5A (0.58) HTR5AKDRTGFBR1GAKRIPK2
Hydrochloric Acid SCHEMBL9103343 0.99 HTR5A (0.58) HTR5AKDRTGFBR1GAKRIPK2
SCHEMBL9907788 0.90 HTR5A (0.69) HTR5A
SCHEMBL12874625 0.85 HTR5A (0.54) HTR5AKDRTGFBR1
SCHEMBL9907840 0.83 HTR5A (0.63) HTR5A
SCHEMBL12874631 0.83 HTR5A (0.52) HTR5AKDRTGFBR1
SCHEMBL9907790 0.83 HTR5A (0.62) HTR5A
SCHEMBL9907795 0.82 HTR5A (0.58) HTR5A
SCHEMBL9105713 0.81 HTR5A (0.56) HTR5AKDRTGFBR1GAKRIPK2
SCHEMBL9105721 0.81 HTR5A (0.56) HTR5AKDRTGFBR1GAKRIPK2

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 4 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

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 1/4885KDR 3869/4885TGFBR1 3632/4885

“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.