SCHEMBL16216125

SCHEMBL16216125

CC(C)(C)n1cc(CCn2ccnc2)nn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 5/20 0.40
▸ CYP19A1 P11511 2/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PRKCI P41743 1/20 0.38
▸ HMOX1 P09601 1/20 0.37
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 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
SCHEMBL19361231 0.81 TBXAS1 (0.44) TBXAS1CYP19A1HRH4HRH3KMT2A
SCHEMBL22827249 0.81 TBXAS1 (0.49) TBXAS1CYP19A1HRH4HRH3KMT2A
SCHEMBL16219326 0.78 HRH4 (0.48) TBXAS1CYP19A1HRH4HRH3KMT2A
SCHEMBL14212090 0.73 GABRA2 (0.38) CYP19A1
SCHEMBL16216284 0.72 GABRA2 (0.33) CYP19A1
SCHEMBL15222209 0.72 GABRA2 (0.45) CYP19A1
SCHEMBL14212094 0.71 NOTUM (0.41) CYP19A1KMT2APOLB
SCHEMBL25734935 0.71 GABRA2 (0.32) CYP19A1
SCHEMBL19361232 0.71 CYP2C9 (0.40) CYP19A1HRH4HRH3
SCHEMBL20812235 0.68 NOTUM (0.44) CYP19A1

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 TBXAS1 145/4885CYP19A1 2566/4885HRH4 4501/4885
US-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 TBXAS1 145/4885CYP19A1 2566/4885HRH4 4501/4885

“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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