SCHEMBL9907428

SCHEMBL9907428

Cc1cc(C(=O)O)cc2c(-c3ccc(F)cc3Cl)ccnc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.43
GRM2 Q14416 1/20 0.40
GPBAR1 Q8TDU6 2/20 0.39
AURKA O14965 1/20 0.38
TOP2A P11388 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CYP17A1 P05093 2/20 0.38
CYP1A2 P05177 1/20 0.38
HTR5A P47898 1/20 0.38
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
KDM4A O75164 1/20 0.37
KDM5A P29375 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
KDM5B Q9UGL1 1/20 0.37
KMO O15229 1/20 0.36
FABP4 P15090 1/20 0.36
FABP5 Q01469 1/20 0.36

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
SCHEMBL9907476 0.91 TOP2A (0.40) MAPK14AURKATOP2ACYP17A1CYP1A2
SCHEMBL9907495 0.88 PTGDR2 (0.41) KDM4AKDM5AKDM4CKDM5B
SCHEMBL9907459 0.88 KDM4C (0.45) KDM4CKDM5B
SCHEMBL9907419 0.87 MAPK14 (0.41) MAPK14GPBAR1TOP2AGSK3AGSK3B
SCHEMBL9907823 0.85 HTR5A (0.54) MAPK14GRM2CYP17A1HTR5A
SCHEMBL9909228 0.84 KDM5A (0.43) CYP1A2KDM5AKDM4CKDM5B
SCHEMBL9907486 0.84 PTGDR2 (0.38) MAPK14GRM2HTR5AKDM4AKDM5A
SCHEMBL9907490 0.83 KMO (0.48) MAPK14GRM2GSK3AGSK3BKDM5A
SCHEMBL9907561 0.83 GRM2 (0.45) GRM2AURKAHTR5AROCK2ROCK1
SCHEMBL9907512 0.81 KDM4C (0.47) GRM2GPBAR1KDM4AKDM5AKDM4C

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 MAPK14 3810/4885GRM2 109/4885GPBAR1 164/4885

“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.