SCHEMBL16218921

SCHEMBL16218921

N=C(N)NCc1ccc(F)c(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 6/20 0.57
DUSP3 P51452 6/20 0.57
RPS6KB1 P23443 1/20 0.47
P2RX7 Q99572 5/20 0.47
NR3C2 P08235 1/20 0.46
CTSD P07339 3/20 0.43
VNN1 O95497 1/20 0.43
EPHX1 P07099 1/20 0.41
AR P10275 1/20 0.40

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
SCHEMBL4575369 0.82 PTPN7 (0.54) PTPN7DUSP3RPS6KB1P2RX7NR3C2
SCHEMBL17198804 0.82 TRPV1 (0.43) RPS6KB1P2RX7
Hydrochloric Acid SCHEMBL28128875 0.80 TRPV1 (0.42) RPS6KB1
Hydrochloric Acid SCHEMBL30496710 0.80 TRPV1 (0.42) RPS6KB1
SCHEMBL30496726 0.80 ALDH1A1 (0.52) PTPN7DUSP3CTSD
SCHEMBL17198950 0.80 ALDH1A1 (0.52) PTPN7DUSP3CTSD
Hydrochloric Acid SCHEMBL28480591 0.79 ALDH1A1 (0.51) PTPN7DUSP3CTSD
SCHEMBL17689391 0.78 PTPN7 (0.57) PTPN7DUSP3RPS6KB1P2RX7NR3C2
SCHEMBL15682779 0.78 PTPN7 (0.53) PTPN7DUSP3RPS6KB1P2RX7NR3C2
SCHEMBL14137984 0.78 MLLT1 (0.35) PTPN7DUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2020-12-24 US disclosed
US-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-09-21 US disclosed
US-9550000-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-01-24 US disclosed
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2014-11-06 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 (3 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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 PTPN7 4395/4885DUSP3 3535/4885RPS6KB1 4445/4885
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 PTPN7 4395/4885DUSP3 3535/4885RPS6KB1 4445/4885
US-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 PTPN7 4395/4885DUSP3 3535/4885RPS6KB1 4445/4885

“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.