SCHEMBL9909154

SCHEMBL9909154

COC(=O)c1ccc2ccnc(-c3ccccc3C#N)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.48
ALOX15 P16050 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 1/20 0.41
IDO1 P14902 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
MDH2 P40926 1/20 0.39
GSK3B P49841 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
DYRK1A Q13627 1/20 0.39
KIF11 P52732 1/20 0.39
SCN9A Q15858 2/20 0.39

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
SCHEMBL9909158 0.86 KMT2A (0.46) F10HTTKDM4EMAPTMAPK1
SCHEMBL9909212 0.86 NR1H4 (0.40) F10ALOX15HTTKDM4EMAPT
SCHEMBL16502716 0.83 ALDH1A1 (0.48) ALOX15HTTKDM4EMAPTMAPK1
SCHEMBL7920242 0.83 ALOX15 (0.49) F10ALOX15HTTKDM4EMAPT
SCHEMBL16502466 0.82 KIF11 (0.43) F10ALOX15HTTKDM4EMAPT
SCHEMBL9909186 0.81 ALOX15 (0.48) F10ALOX15HTTKDM4EMAPT
SCHEMBL9909261 0.80 HTR5A (0.49) F10KDM4EMAPTMAPK1KMT2A
SCHEMBL9907378 0.80 ALOX15 (0.41) ALOX15HTTKDM4EMAPTMAPK1
SCHEMBL9907334 0.79 CYP19A1 (0.49) ALOX15HTTKDM4EMAPTMAPK1
SCHEMBL9909161 0.79 CYP11B1 (0.41) ALOX15HTTSCN9ACYP11B1CYP11B2

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 3 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-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 F10 3783/4885ALOX15 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.