SCHEMBL9909216

SCHEMBL9909216

COC(=O)c1ccc2nccc(-c3ccc(C#N)cc3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 1/20 0.47
ALOX15 P16050 1/20 0.46
HTT P42858 1/20 0.46
KDM5A P29375 1/20 0.44
KDM5B Q9UGL1 1/20 0.44
MAPKAPK2 P49137 2/20 0.43
SLC22A12 Q96S37 2/20 0.43
CREBBP Q92793 1/20 0.43
MAP4K4 O95819 3/20 0.43
MINK1 Q8N4C8 2/20 0.43
TNIK Q9UKE5 2/20 0.43
TGFBR1 P36897 1/20 0.42
PLAU P00749 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
CDK5 Q00535 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
SCHEMBL9909160 0.85 SLC22A12 (0.58) EGLN2KDM5AKDM5BMAPKAPK2SLC22A12
SCHEMBL9909208 0.84 SCN9A (0.51) ALOX15HTTKDM5AKDM5BTGFBR1
SCHEMBL29245472 0.84 PIK3CA (0.51) ALOX15HTTTGFBR1GAKKDM4E
SCHEMBL9907325 0.84 ALOX15 (0.55) ALOX15HTTTGFBR1KDM4EKDM6B
SCHEMBL9907398 0.81 ALOX15 (0.46) ALOX15HTTSLC22A12CREBBPTGFBR1
SCHEMBL9909186 0.80 ALOX15 (0.48) ALOX15HTTCREBBPTGFBR1TBK1
SCHEMBL16621275 0.80 ALOX15 (0.52) ALOX15HTTKDM5AKDM5BCREBBP
SCHEMBL9909205 0.79 HTR5A (0.42) EGLN2MAPKAPK2SLC22A12MAP4K4
SCHEMBL16549247 0.79 MAPT (0.50) ALOX15HTTSLC22A12CREBBPTBK1
SCHEMBL9909232 0.78 EGLN2 (0.44) EGLN2ALOX15HTTKDM5AKDM5B

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
EP-2463276-B1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC (JP) 2014-03-12 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 EGLN2 4832/4885ALOX15 1101/4885HTT 970/4885

“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.