SCHEMBL16219326

SCHEMBL16219326

CCn1cc(CCn2ccnc2)nn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ TBXAS1 P24557 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ PRKCI P41743 1/20 0.39
▸ CYP19A1 P11511 3/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ LMNA P02545 1/20 0.38

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 0.83 TBXAS1 (0.44) HRH4HRH3TBXAS1PRKCICYP19A1
SCHEMBL16216125 0.78 TBXAS1 (0.40) HRH4HRH3TBXAS1PRKCICYP19A1
SCHEMBL14982736 0.73 CYP19A1 (0.50) HRH4HRH3CYP19A1
SCHEMBL1753748 0.73 CYP19A1 (0.61) HRH4HRH3CYP19A1
SCHEMBL22827249 0.72 TBXAS1 (0.49) HRH4HRH3TBXAS1ALDH1A1CYP19A1
SCHEMBL5021080 0.70 L3MBTL1 (0.56) HRH4HRH3CYP19A1
SCHEMBL19361293 0.70 CYP19A1 (0.45) HRH4HRH3CYP19A1
SCHEMBL13359255 0.70 POLB (0.47) HRH4HRH3CYP19A1KMT2A
SCHEMBL31415760 0.69 CYP11B1 (0.57) HRH4HRH3TBXAS1CYP19A1
SCHEMBL13872397 0.68 CYP19A1 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20140328756-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 HRH4 4501/4885HRH3 3946/4885TBXAS1 145/4885

“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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