SCHEMBL9907988

SCHEMBL9907988

NC(N)=NC(=O)c1ccc2cncc(-c3ccc(F)cc3F)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR5A P47898 18/20 0.59
PLK4 O00444 1/20 0.49
AURKA O14965 1/20 0.49
MAPK13 O15264 1/20 0.49
DAPK3 O43293 1/20 0.49
ROCK2 O75116 1/20 0.49
CHEK2 O96017 1/20 0.49
CDK1 P06493 1/20 0.49
CSF1R P07333 1/20 0.49
PIM1 P11309 1/20 0.49
FGFR1 P11362 1/20 0.49
PRKACA P17612 1/20 0.49
FGFR3 P22607 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CDK2 P24941 1/20 0.49
MARK3 P27448 1/20 0.49
FLT4 P35916 1/20 0.49
KDR P35968 1/20 0.49
MAPK8 P45983 1/20 0.49
MAPK9 P45984 1/20 0.49

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
SCHEMBL9925420 0.87 PLK4 (0.46) HTR5APLK4AURKAMAPK13DAPK3
SCHEMBL578771 0.87 PLK4 (0.57) HTR5APLK4AURKAMAPK13DAPK3
SCHEMBL12874487 0.85 PLK4 (0.46) HTR5APLK4AURKAMAPK13DAPK3
SCHEMBL7906714 0.83 HTR5A (0.55) HTR5ASLC9A1
SCHEMBL9907614 0.83 SLC22A12 (0.53) HTR5APLK4AURKAMAPK13DAPK3
SCHEMBL15500516 0.81 PLK4 (0.48) HTR5APLK4AURKAMAPK13DAPK3
SCHEMBL9907611 0.79 RPS6KB1 (0.46) PLK4AURKAMAPK13DAPK3ROCK2
SCHEMBL7918746 0.78 HTR5A (0.47) HTR5ASLC9A1
SCHEMBL9907862 0.77 HTR5A (0.78) HTR5ASLC9A1
SCHEMBL9907921 0.77 HTR5A (0.82) HTR5ASLC9A1

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 1/4885PLK4 3231/4885AURKA 2065/4885

“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.