SCHEMBL3465293

SCHEMBL3465293

COCCCn1cc(F)c2ccc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.39
IDO1 P14902 5/20 0.39
PRPS1 P60891 1/20 0.39
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 3/20 0.38
CNR1 P21554 2/20 0.38
SLC6A4 P31645 1/20 0.38
GSK3B P49841 5/20 0.37
QPCT Q16769 4/20 0.37
MAP3K14 Q99558 1/20 0.34

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
SCHEMBL3464542 0.86 DYRK1A (0.40) DYRK1AIDO1PRPS1ALDH1A1SMN1; SMN2
SCHEMBL1050732 0.84 REN (0.42) DYRK1AIDO1PRPS1ALDH1A1SMN1; SMN2
SCHEMBL13131411 0.82 HTR6 (0.40) DYRK1AIDO1PRPS1ALDH1A1SMN1; SMN2
SCHEMBL13132161 0.80 ALDH1A1 (0.52) PRPS1ALDH1A1SMN1; SMN2CNR2CNR1
SCHEMBL3463638 0.80 MAPT (0.52) DYRK1APRPS1ALDH1A1SMN1; SMN2
SCHEMBL12048886 0.80 CNR2 (0.55) ALDH1A1SMN1; SMN2CNR2CNR1
SCHEMBL19626278 0.76 CNR1 (0.34) CNR2CNR1SLC6A4GSK3BMAP3K14
SCHEMBL13132176 0.74 PRPS1 (0.41) DYRK1AIDO1PRPS1ALDH1A1SMN1; SMN2
SCHEMBL13131399 0.74 IDO1 (0.47) DYRK1AIDO1ALDH1A1SMN1; SMN2CNR2
SCHEMBL21816695 0.73 CYP19A1 (0.36) ALDH1A1SLC6A4GSK3B

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-8071651-B2 5-amino-4-hydroxy-7-(imidazo [1,2-A] pyridin-6-ylmethyl)-8-methyl-nonamide derivatives and related compounds as renin inhibitors for the treatment of hypertension NOVARTIS AG (CH) 2011-12-06 US disclosed
CN-101268074-B 5-amino-4-hydroxy-7- (imidazo [1,2-A] pyridin-6- ylmethyl)-8-methyl-nonamide derivatives and related compounds as renin inhibitors for the treatment of hypertension SPEEDEL EXPERIMENTA AG 2011-09-21 CN disclosed
US-20100063087-A1 5-Amino-4-Hydroxy-7-(Imidazo [1,2-A] Pyridin-6-Ylmethyl)-8-Methyl-Nonamide Derivatives and Related Compounds as Renin Inhibitors for the Treatment of Hypertension SPEEDEL EXPERIMENTA AG (CH) 2010-03-11 US disclosed
EP-1948654-B1 5-AMINO-4-HYDROXY-7- (IMIDAZO [1,2-A] PYRIDIN-6- YLMETHYL)-8-METHYL-NONAMIDE DERIVATIVES AND RELATED COMPOUNDS AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2009-06-24 EP disclosed
CN-101268074-A 5-amino-4-hydroxy-7- (imidazo [1,2-A] pyridin-6- ylmethyl)-8-methyl-nonamide derivatives and related compounds as renin inhibitors for the treatment of hypertension SPEEDEL EXPERIMENTA AG (CH) 2008-09-17 CN 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-20100063087-A1 5-Amino-4-Hydroxy-7-(Imidazo [1,2-A] Pyridin-6-Ylmethyl)-8-Methyl-Nonamide Derivatives and Related Compounds as Renin Inhibitors for the Treatment of Hypertension REN, AGTR1, AGTR2 DYRK1A 1627/4885IDO1 1458/4885PRPS1 1036/4885

“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.