SCHEMBL9907614

SCHEMBL9907614

O=C(O)c1ccc2cncc(-c3ccc(F)cc3F)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 6/20 0.53
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
SCHEMBL578771 0.88 PLK4 (0.57) SLC22A12PLK4AURKAMAPK13DAPK3
SCHEMBL9925420 0.86 PLK4 (0.46) SLC22A12PLK4AURKAMAPK13DAPK3
SCHEMBL9907611 0.85 RPS6KB1 (0.46) SLC22A12PLK4AURKAMAPK13DAPK3
SCHEMBL15500516 0.85 PLK4 (0.48) SLC22A12PLK4AURKAMAPK13DAPK3
SCHEMBL9907988 0.83 HTR5A (0.59) PLK4AURKAMAPK13DAPK3ROCK2
SCHEMBL12874487 0.82 PLK4 (0.46) SLC22A12PLK4AURKAMAPK13DAPK3
SCHEMBL16502490 0.81 PLA2G2D (0.49) KMOAXLKDM4AKDM5AKDM4C
SCHEMBL578391 0.75 GRM2 (0.50) SLC22A12PLK4AURKAMAPK13DAPK3
SCHEMBL9907531 0.75 HTR5A (0.55) KMOKDM4AKDM5AKDM4CKDM5B
SCHEMBL16502629 0.74 SLC22A12 (0.54) SLC22A12MEN1KMT2AACMSD

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 SLC22A12 1751/4885PLK4 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.