SCHEMBL16216284

SCHEMBL16216284

CC(C)(C)n1cc(CC[18F])nn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GABRA2 P47869 4/20 0.33
▸ GABRB2 P47870 4/20 0.33
▸ CYP19A1 P11511 2/20 0.31
▸ CYP4F2 P78329 1/20 0.30
▸ CYP4A11 Q02928 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
SCHEMBL19361232 0.86 CYP2C9 (0.40) GABRA2GABRB2CYP19A1
SCHEMBL14212090 0.86 GABRA2 (0.38) GABRA2GABRB2CYP19A1CYP4F2CYP4A11
SCHEMBL18401359 0.85 CYP19A1 (0.34) GABRA2GABRB2CYP19A1
SCHEMBL15222209 0.84 GABRA2 (0.45) GABRA2GABRB2CYP19A1
SCHEMBL14212094 0.82 NOTUM (0.41) GABRA2GABRB2CYP19A1CYP4F2CYP4A11
SCHEMBL25734935 0.82 GABRA2 (0.32) GABRA2GABRB2CYP19A1
SCHEMBL11954946 0.82 NOTUM (0.43) —
SCHEMBL20812235 0.79 NOTUM (0.44) GABRA2GABRB2CYP19A1CYP4F2CYP4A11
SCHEMBL25588830 0.79 DDX3X (0.41) GABRA2GABRB2CYP19A1CYP4F2CYP4A11
SCHEMBL18767836 0.79 GABRA2 (0.49) GABRA2GABRB2CYP19A1

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-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 (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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 GABRA2 3201/4885GABRB2 3915/4885CYP19A1 2566/4885
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 GABRA2 3201/4885GABRB2 3915/4885CYP19A1 2566/4885

“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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