Apaxifylline

Apaxifylline

SCHEMBL13275927

CCCn1c(=O)c2[nH]c([C@H]3CCC(=O)C3)nc2n(CCC)c1=O.C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H]1CC[C@H]1C[C@@H]3C[C@@]12CC[C@@]3(CO)OC(=O)CN

nearest known ligand 0.48

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Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 14/20 0.48
▸ ADORA2A P29274 4/20 0.48
▸ ADORA2B P29275 3/20 0.48
▸ CYP2C19 P33261 1/20 0.44
▸ ADORA3 P0DMS8 2/20 0.39
▸ LMNA P02545 2/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ POLA1 P09884 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ GMNN O75496 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL15747 0.77 CYP2C19 (0.70) CYP2C19LMNAHIF1APOLA1HTT
Apaxifylline SCHEMBL194999 0.69 ADORA1 (1.00) ADORA1ADORA2AADORA2BADORA3LMNA
Apaxifylline SCHEMBL194806 0.69 ADORA1 (1.00) ADORA1ADORA2AADORA2BADORA3LMNA
SCHEMBL4983391 0.63 ADORA1 (0.70) ADORA1ADORA2AADORA2BADORA3LMNA
Hydrochloric Acid SCHEMBL29351943 0.63 CYP2C19 (0.98) CYP2C19LMNAHIF1APOLA1HTT
SCHEMBL9729348 0.62 ADORA1 (0.83) ADORA1ADORA2AADORA2BADORA3LMNA
SCHEMBL9728748 0.62 ADORA1 (0.83) ADORA1ADORA2AADORA2BADORA3LMNA
SCHEMBL9728826 0.62 ADORA1 (0.83) ADORA1ADORA2AADORA2BADORA3LMNA
SCHEMBL9728743 0.62 ADORA1 (0.83) ADORA1ADORA2AADORA2BADORA3LMNA
SCHEMBL8873114 0.62 ADORA1 (0.83) ADORA1ADORA2AADORA2BADORA3LMNA

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-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2012-10-18 — — 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-20120264605-A1 Multi-Functional Ionic Liquid Compositions for Overcoming Polymorphism and Imparting Improved Properties for Active Pharmaceutical, Biological, Nutritional, and Energetic Ingredients SLC5A6, PNLIP, IPMK ADORA1 323/4885ADORA2A 561/4885ADORA2B 664/4885

“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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