SCHEMBL19361231

SCHEMBL19361231

Cn1cc(CCn2ccnc2)nn1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 6/20 0.44
▸ HRH4 Q9H3N8 1/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ PRKCI P41743 1/20 0.41
▸ CYP19A1 P11511 3/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL16219326 0.83 HRH4 (0.48) TBXAS1HRH4HRH3PRKCICYP19A1
SCHEMBL16216125 0.81 TBXAS1 (0.40) TBXAS1HRH4HRH3PRKCICYP19A1
SCHEMBL18814049 0.75 MAOA (0.41) HRH4HRH3CYP19A1
SCHEMBL22827249 0.72 TBXAS1 (0.49) TBXAS1HRH4HRH3CYP19A1KMT2A
SCHEMBL17107884 0.69 — —
SCHEMBL18020545 0.69 — —
SCHEMBL12049660 0.69 — —
SCHEMBL12387652 0.69 — —
SCHEMBL4773938 0.69 TBXAS1 (0.75) TBXAS1PRKCICYP19A1
SCHEMBL8337928 0.68 TBXAS1 (0.54) TBXAS1CYP19A1

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 1 patent. 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

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-20170266326-A1 COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS FABP3, TNNI3, TNNT2 TBXAS1 145/4885HRH4 4501/4885HRH3 3946/4885

“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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