SCHEMBL9909160

SCHEMBL9909160

N#Cc1ccc(-c2ccnc3ccc(C(=O)O)cc23)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.58
MAP4K4 O95819 2/20 0.52
KDM4C Q9H3R0 2/20 0.48
XDH P47989 1/20 0.44
PIK3CA P42336 1/20 0.44
EGLN2 Q96KS0 1/20 0.43
PTPN11 Q06124 1/20 0.41
MAPKAPK2 P49137 3/20 0.41
CCNB2 O95067 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
CAMKK1 Q8N5S9 1/20 0.40
CAMKK2 Q96RR4 1/20 0.40
KDM5A P29375 1/20 0.40
KDM2B Q8NHM5 1/20 0.40

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
SCHEMBL9909216 0.85 EGLN2 (0.47) SLC22A12MAP4K4KDM4CEGLN2PTPN11
SCHEMBL9907326 0.83 PIK3CA (0.57) MAP4K4KDM4CPIK3CACAMKK1CAMKK2
SCHEMBL9909205 0.83 HTR5A (0.42) SLC22A12MAP4K4EGLN2MAPKAPK2
SCHEMBL9909156 0.80 SCN9A (0.49) SLC22A12KDM4CKDM5AKDM5B
SCHEMBL9925485 0.80 MAP4K4 (0.39) SLC22A12MAP4K4PIK3CAEGLN2MAPKAPK2
SCHEMBL9907402 0.79 PIK3CA (0.44) SLC22A12KDM4CPIK3CAEGLN2MAPKAPK2
SCHEMBL9909203 0.78 ALDH1A1 (0.41) SLC22A12KDM4C
SCHEMBL18109862 0.77 ALDH1A1 (0.42) SLC22A12KDM4CXDHEGLN2MAPKAPK2
SCHEMBL9909267 0.76 SLC22A12 (0.52) SLC22A12MAP4K4KDM4CEGLN2PTPN11
SCHEMBL16502429 0.76 SLC22A12 (0.68) SLC22A12MAP4K4XDH

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
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 EP disclosed
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP 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 1751/4885MAP4K4 3525/4885KDM4C 1366/4885

“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.