SCHEMBL16219087

SCHEMBL16219087

NCc1ccc2c(ccn2CCF)c1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PLG P00747 2/20 0.43
PLAU P00749 2/20 0.43
CDK4 P11802 8/20 0.40
CCND1 P24385 8/20 0.40
HTR2A P28223 5/20 0.40
HTR2C P28335 5/20 0.40
ROCK1 Q13464 1/20 0.37

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
SCHEMBL16216132 0.85 HTR7 (0.44) PLGPLAUCDK4CCND1HTR2A
SCHEMBL24669590 0.85 PLG (0.45) PLGPLAUCDK4CCND1HTR2A
SCHEMBL31735936 0.81 GLO1 (0.46) PLGPLAUHTR2AHTR2C
SCHEMBL30672832 0.81 PRKCI (0.55) PLGPLAUCDK4CCND1HTR2A
SCHEMBL16370787 0.81 PRKCI (0.55) PLGPLAUCDK4CCND1HTR2A
SCHEMBL10109815 0.81 RORC (0.43) PLGPLAUHTR2AHTR2C
SCHEMBL10305068 0.78 PLAU (0.47) PLGPLAU
SCHEMBL13158646 0.78 PLAU (0.47) PLGPLAU
SCHEMBL19553339 0.77 HTR2C (0.53) PLGPLAUHTR2AHTR2C
SCHEMBL110146 0.77 PRKCI (0.58)

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
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
EP-3567029-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS Lantheus Medical Imaging, Inc. (US) 2019-11-13 EP 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 PLG 1067/4885PLAU 1713/4885CDK4 3459/4885
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 PLG 1067/4885PLAU 1713/4885CDK4 3459/4885
US-20200397927-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 PLG 1067/4885PLAU 1713/4885CDK4 3459/4885

“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.