SCHEMBL16901937

SCHEMBL16901937

CCCOCc1ccc(COc2cnn(C(C)C)c(=O)c2Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BPTF Q12830 1/20 0.43
▸ MAPK14 Q16539 6/20 0.38
▸ GAA P10253 1/20 0.34
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ NPBWR1 P48145 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ KAT2B Q92831 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ PDE9A O76083 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ NR2E3 Q9Y5X4 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL15564823 0.90 BPTF (0.42) BPTFMAPK14GAAPDE1APDE1B
SCHEMBL15566104 0.90 BPTF (0.45) BPTFMAPK14GAAPDE1APDE1B
SCHEMBL10854770 0.85 BPTF (0.46) BPTFMAPK14PDE1APDE1BPDE1C
SCHEMBL15565563 0.84 BPTF (0.46) BPTFMAPK14GAAPDE1APDE1B
SCHEMBL15565769 0.84 BPTF (0.46) BPTFMAPK14GAAPDE1APDE1B
SCHEMBL16901933 0.84 ATM (0.42) BPTFMAPK14GAAKAT2BALDH1A1
SCHEMBL9239759 0.82 RAB9A (0.44) BPTFMAPK14ALDH1A1HPGDRAB9A
SCHEMBL11938602 0.81 SMN1; SMN2 (0.46) MAPK14GAANPBWR1MCHR1ALDH1A1
SCHEMBL15596804 0.81 ALDH1A1 (0.37) BPTFGAANPBWR1MCHR1ALDH1A1
SCHEMBL19356577 0.81 MAPK14 (0.38) MAPK14ALDH1A1NR2E3

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
US-11744906-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2023-09-05 — — US disclosed
US-9919064-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2018-03-20 — — US disclosed
US-9713651-B2 Compositions, methods, and systems for the synthesis and use of imaging agents LANTHEUS MEDICAL IMAGING, INC. (US) 2017-07-25 — — US disclosed
US-20170202984-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-07-20 — — US disclosed
US-20170151353-A9 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2017-06-01 — — US disclosed
US-9555138-B2 — — 2017-01-31 — — US disclosed
US-20150196672-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS LANTHEUS MEDICAL IMAGING, INC. (US) 2015-07-16 — — 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 (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-20150196672-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS TNNI3, FABP3, TNNT2 BPTF 4722/4885MAPK14 3862/4885GAA 1058/4885
US-20170151353-A9 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS TNNI3, FABP3, TNNT2 BPTF 4722/4885MAPK14 3862/4885GAA 1058/4885
US-11744906-B2 Compositions, methods, and systems for the synthesis and use of imaging agents FABP3, TNNI3, TNNT2 BPTF 4773/4885MAPK14 4638/4885GAA 818/4885
US-20170202984-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 BPTF 4773/4885MAPK14 4638/4885GAA 818/4885

“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.

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