SCHEMBL4089595

SCHEMBL4089595

O=C1NCCN1CCOc1ccc2cc(Br)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.50
MAOB P27338 2/20 0.42
ALK Q9UM73 1/20 0.42
SLC6A2 P23975 2/20 0.42
SLC6A4 P31645 2/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SCN9A Q15858 3/20 0.41
HPGDS O60760 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
SCN5A Q14524 2/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SCN2A Q99250 1/20 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
SCHEMBL15502468 0.86 PDK2 (0.57) PDK2SLC6A2SLC6A4MAPK1SCN9A
SCHEMBL4094159 0.79 POLB (0.57) PDK2MAOBSLC6A2SLC6A4NPSR1
SCHEMBL4090609 0.79 MAOB (0.42) MAOBSLC6A2SLC6A4MAPK1NPSR1
SCHEMBL29283173 0.76 LTA4H (0.50) PDK2ALKSCN9AHRH3SCN5A
SCHEMBL21064986 0.75 ALK (0.40) PDK2ALKSCN9ASCN5AMAPT
SCHEMBL1640980 0.75 LTA4H (0.68) MAOBSLC6A2SLC6A4NPSR1HRH3
SCHEMBL2558542 0.74 PDK2 (0.47) PDK2MAOBALKSCN9AHRH3
SCHEMBL5442329 0.74 TSHR (0.66) SLC6A2SLC6A4MAPK1HRH3RAB9A
SCHEMBL4085732 0.73 LTA4H (0.66) MAOBNPSR1HRH3ATML3MBTL1
SCHEMBL4084094 0.73 LTA4H (0.66) MAOBNPSR1HRH3ATML3MBTL1

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
EP-2065383-A1 Indazole compounds and methods of use thereof as protein kinase inhibitors Signal Pharmaceuticals, Inc. (US) 2009-06-03 EP disclosed
US-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF BHAGWAT SHRIPAD S 2009-04-16 US disclosed
EP-1692128-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS Signal Pharmaceuticals LLC (US) 2006-08-23 EP disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 US disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 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 (2 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-20090099178-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF WNT3, WNT3A, WNK3 PDK2 412/4885MAOB 3587/4885ALK 413/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 PDK2 386/4885MAOB 3738/4885ALK 477/4885

“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.