SCHEMBL3463638

SCHEMBL3463638

COCCCn1cc(C#N)c2ccc(Br)cc21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
HTT P42858 4/20 0.52
LMNA P02545 3/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 6/20 0.50
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 4/20 0.49
TDP1 Q9NUW8 1/20 0.49
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.39
PRPS1 P60891 1/20 0.39
DYRK1A Q13627 1/20 0.37

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
SCHEMBL22152181 0.83 KDM1A (0.44) MAPTHTTLMNATSHRMAPK1
SCHEMBL3464542 0.82 DYRK1A (0.40) SMN1; SMN2ALDH1A1PRPS1DYRK1A
SCHEMBL22153072 0.82 HTT (0.43) MAPTHTTLMNATSHRMAPK1
SCHEMBL1050732 0.81 REN (0.42) SMN1; SMN2ALDH1A1KDM4EKMT2APRPS1
SCHEMBL8240740 0.81 MAPT (0.74) MAPTHTTLMNATSHRMAPK1
SCHEMBL3465293 0.80 DYRK1A (0.39) SMN1; SMN2ALDH1A1PRPS1DYRK1A
SCHEMBL10095347 0.79 SMN1; SMN2 (0.47) MAPTHTTLMNATSHRSMN1; SMN2
SCHEMBL13131411 0.79 HTR6 (0.40) SMN1; SMN2ALDH1A1PRPS1DYRK1A
SCHEMBL13132161 0.77 ALDH1A1 (0.52) MAPTHTTLMNASMN1; SMN2ALDH1A1
SCHEMBL17839840 0.74 IMPDH2 (0.59) SMN1; SMN2GAA

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 7 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
EP-1948654-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) 2008-07-30 EP disclosed
WO-2007031558-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) 2007-03-22 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-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 MAPT 4755/4885HTT 4573/4885LMNA 10/4885

“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.