SCHEMBL446820

SCHEMBL446820

C=CCC(NC(C)=O)c1cc(F)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.36
ACACB O00763 2/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
F2R P25116 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 2/20 0.32
PKM P14618 2/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR139 Q6DWJ6 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL432667 1.00 CYP1A2 (0.36) CYP1A2ACACBMTNR1AMTNR1BF2R
SCHEMBL30152443 0.82 CTSA (0.39) ALDH1A1MAPT
SCHEMBL28502599 0.82 CTSA (0.39) ALDH1A1MAPT
SCHEMBL28502600 0.82 CTSA (0.39) ALDH1A1MAPT
SCHEMBL4629345 0.77 POLB (0.43) CYP1A2ALDH1A1POLBHTT
SCHEMBL31401094 0.76 CYP1A2 (0.44) CYP1A2ACACBALDH1A1MAPTHPGD
SCHEMBL18581761 0.74 ACACB (0.32) ACACB
SCHEMBL18555597 0.74 ACACB (0.32) ACACB
SCHEMBL16444969 0.74 CES2 (0.32) PKM
SCHEMBL430901 0.73

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
EP-2678338-B1 PYRAZOLO[1,5-A]PYRIDINES AS TRK INHIBITORS NOVARTIS AG (CH) 2015-09-09 EP disclosed
US-9102671-B2 Compounds and compositions as TRK inhibitors NOVARTIS AG (CH) 2015-08-11 US disclosed
US-8637516-B2 Compounds and compositions as TRK inhibitors IRM LLC (BM) 2014-01-28 US disclosed
EP-2678338-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2014-01-01 EP disclosed
US-20130331397-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2013-12-12 US disclosed
WO-2012116217-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-08-30 WO disclosed
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS IRM LLC (BM) 2012-03-15 US 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-20130331397-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS CNKSR1, BMP2K, RAF1 CYP1A2 4325/4885ACACB 1191/4885MTNR1A 1914/4885
US-20120065184-A1 COMPOUNDS AND COMPOSITIONS AS TRK INHIBITORS TNK2, CNKSR1, BMP2K CYP1A2 4577/4885ACACB 717/4885MTNR1A 2920/4885

“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.