SCHEMBL11291062

SCHEMBL11291062

COc1cc(Br)c(C)cc1N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.49
CYP1A2 P05177 1/20 0.49
HTT P42858 1/20 0.44
MAPT P10636 4/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
NR3C1 P04150 3/20 0.40
HTR2A P28223 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HTR7 P34969 1/20 0.40
LMNA P02545 1/20 0.40
SLC16A3 O15427 1/20 0.39
SLC16A1 P53985 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL18304949 0.86 CYP2C19 (0.39) CYP2C19CYP1A2HTTKDM4ENR3C1
SCHEMBL30977513 0.84 HTT (0.43) CYP2C19CYP1A2HTTMAPTKDM4E
SCHEMBL11295103 0.79 CYP2C19 (0.41) CYP2C19CYP1A2KDM4ENR3C1NPC1
SCHEMBL15705233 0.77 CYP2C19 (0.50) CYP2C19HTTMAPTKDM4EGAA
SCHEMBL30977574 0.75 ACHE (0.41) HTTMAPTKDM4EGAANR3C1
SCHEMBL22458797 0.75 NR3C1 (0.47) CYP2C19CYP1A2HTTMAPTKDM4E
SCHEMBL11777003 0.74 ALDH1A1 (0.49) MAPTKDM4EGAANR3C1L3MBTL1
SCHEMBL22474159 0.73 ALDH1A1 (0.40) HTTMAPTKDM4EGAANR3C1
SCHEMBL4596187 0.73 MEN1 (0.54) CYP2C19CYP1A2MAPTNPC1RAB9A
SCHEMBL20562352 0.73 MEN1 (0.54) CYP2C19CYP1A2MAPTNPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140155389-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-05 US disclosed
EP-2665724-A1 BICYCLIC INHIBITORS OF ALK AbbVie Inc. (US) 2013-11-27 EP disclosed
WO-2012097682-A1 BICYCLIC INHIBITORS OF ALK ABBOTT LABORATORIES (US) 2012-07-26 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-20140155389-A1 BICYCLIC INHIBITORS OF ALK ALK, ABL1, BOD1L1 CYP2C19 1263/4885CYP1A2 824/4885HTT 3769/4885

“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.