SCHEMBL9909186

SCHEMBL9909186

COC(=O)c1ccc2nccc(-c3ccccc3C#N)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 4/20 0.43
CYP1A2 P05177 3/20 0.43
CYP3A4 P08684 3/20 0.43
HSD17B10 Q99714 3/20 0.43
CLK4 Q9HAZ1 2/20 0.43
TGFBR1 P36897 2/20 0.43
CYP2C19 P33261 1/20 0.43
F10 P00742 1/20 0.42
MAPK1 P28482 1/20 0.41
TBK1 Q9UHD2 1/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
MDH2 P40926 1/20 0.40
GSK3B P49841 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
DYRK1A Q13627 1/20 0.40
KIF11 P52732 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
SCHEMBL9909203 0.85 ALDH1A1 (0.41) ALOX15ALDH1A1CYP1A2CYP3A4HSD17B10
SCHEMBL16621275 0.84 ALOX15 (0.52) ALOX15HTTALDH1A1TGFBR1MAPK1
SCHEMBL9907404 0.83 ALOX15 (0.52) ALOX15HTTALDH1A1TGFBR1DYRK1A
SCHEMBL9909202 0.82 HTT (0.51) ALOX15HTTALDH1A1CYP1A2CYP3A4
SCHEMBL16502466 0.81 KIF11 (0.43) ALOX15HTTALDH1A1CYP1A2HSD17B10
SCHEMBL9909154 0.81 F10 (0.48) ALOX15HTTALDH1A1TGFBR1F10
SCHEMBL9907325 0.80 ALOX15 (0.55) ALOX15HTTALDH1A1TGFBR1MAPT
SCHEMBL9909216 0.80 EGLN2 (0.47) ALOX15HTTALDH1A1TGFBR1TBK1
SCHEMBL9909296 0.80 HTR5A (0.45) F10
SCHEMBL9907341 0.79 HTT (0.48) ALOX15HTTALDH1A1TGFBR1DYRK1A

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-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 ALOX15 1101/4885HTT 970/4885ALDH1A1 1799/4885

“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.