SCHEMBL1241975

SCHEMBL1241975

CN(C)CCNC(=O)c1ccc(Br)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
CYP1A2 P05177 1/20 0.60
SETD7 Q8WTS6 1/20 0.59
TMEM97 Q5BJF2 1/20 0.58
SIGMAR1 Q99720 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 1/20 0.57
HPGD P15428 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
GLA P06280 1/20 0.55
GAA P10253 1/20 0.55
HSD17B10 Q99714 1/20 0.55
HTT P42858 1/20 0.53
OPRM1 P35372 1/20 0.52
OPRD1 P41143 1/20 0.52
OGG1 O15527 1/20 0.52
HSP90AA1 P07900 1/20 0.51

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
SCHEMBL30046741 0.91 ALDH1A1 (0.73) ALDH1A1SETD7SMN1; SMN2HPGDKDM4E
SCHEMBL3034135 0.85 TMEM97 (0.61) ALDH1A1TMEM97SIGMAR1SMN1; SMN2MAPT
SCHEMBL11407954 0.84 ALDH1A1 (0.65) ALDH1A1CYP1A2SETD7SMN1; SMN2MAPT
SCHEMBL6207528 0.84 SMN1; SMN2 (0.67) ALDH1A1SETD7SMN1; SMN2HPGDNPC1
SCHEMBL24185288 0.83 LMNA (0.72) ALDH1A1TMEM97SIGMAR1SMN1; SMN2HPGD
SCHEMBL2825403 0.83 ALDH1A1 (0.60) ALDH1A1SETD7SMN1; SMN2HPGDKDM4E
SCHEMBL2926997 0.83 ALDH1A1 (0.63) ALDH1A1CYP1A2SETD7SMN1; SMN2HPGD
SCHEMBL21531026 0.83 ALDH1A1 (0.63) ALDH1A1SETD7TMEM97SIGMAR1SMN1; SMN2
SCHEMBL19418228 0.83 ALDH1A1 (0.63) ALDH1A1SETD7SMN1; SMN2HPGDKDM4E
SCHEMBL1409860 0.83 LMNA (0.71) ALDH1A1SETD7SMN1; SMN2MAPTHPGD

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US claimed
CN-1551869-A Novel compound 2004-12-01 CN claimed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed
EP-2925757-B1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2017-10-04 EP disclosed
US-9771362-B2 [1,2,4]triazolo[1,5-a]pyridine and [1,2,4]triazolo[1,5-c]pyrimidine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-09-26 US disclosed
US-9771362-B2 [1,2,4]triazolo[1,5-a]pyridine and [1,2,4]triazolo[1,5-c]pyrimidine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-09-26 US disclosed
US-20170066762-A1 [1,2,4]Triazolo[1,5-a]Pyridine and [1,2,4]Triazolo[1,5-c]Pyrimidine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-03-09 US disclosed
US-20170066762-A1 [1,2,4]Triazolo[1,5-a]Pyridine and [1,2,4]Triazolo[1,5-c]Pyrimidine Compounds and Their Use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2017-03-09 US disclosed
US-9556169-B2 Compounds and compositions for the treatment of parasitic diseases NOVARTIS AG (CH) 2017-01-31 US disclosed
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES NOVARTIS AG (CH) 2016-11-17 US disclosed
US-9394301-B2 [1,2,4]triazolo[1,5-a]pyridine and [1,2,4]triazolo[1,5-c]pyrimidine compounds and their use CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-07-19 US disclosed
US-7456176-B2 Benzotriazine inhibitors of kinases TARGEGEN, INC. (US) 2008-11-25 US disclosed
EP-1809614-A2 BENZOTRIAZINE INHIBITORS OF KINASES Targegen, Inc. (US) 2007-07-25 EP disclosed
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 ASTRAZENECA (SE) 2006-03-09 US disclosed
US-20050245524-A1 Benzotriazine inhibitors of kinases TARGEGEN, INC. (US) 2005-11-03 US disclosed
WO-2005096784-A2 BENZOTRIAZINE INHIBITORS OF KINASES TARGEGEN, INC. (US) 2005-10-20 WO disclosed
CN-1551869-A Novel compound 2004-12-01 CN disclosed
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 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 (4 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-20050245524-A1 Benzotriazine inhibitors of kinases SRC, CAMK4, CAMK2G ALDH1A1 3789/4885CYP1A2 2034/4885SETD7 4202/4885
US-20160333012-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES MAPT, CYP11B1, CYP11B2 ALDH1A1 1143/4885CYP1A2 203/4885SETD7 3662/4885
US-20170066762-A1 [1,2,4]Triazolo[1,5-a]Pyridine and [1,2,4]Triazolo[1,5-c]Pyrimidine Compounds and Their Use AXL, TYRO3, FLT3 ALDH1A1 2831/4885CYP1A2 3284/4885SETD7 3233/4885
US-20060052396-A1 Arylamines for the treatment of conditions associated with gsk-3 GSK3A, GSK3B, PYGL ALDH1A1 2625/4885CYP1A2 218/4885SETD7 1734/4885

“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.