SCHEMBL17017487

SCHEMBL17017487

Cc1nc(CCc2cnccn2)c2cn[nH]c2n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.34
PIK3CD O00329 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
ADORA1 P30542 1/20 0.33
SGK1 O00141 1/20 0.32
HTT P42858 2/20 0.32
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
ADORA2A P29274 2/20 0.31
ALDH1A1 P00352 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL29829401 1.00 PIK3CA (0.34) PIK3CAPIK3CDPIK3CBPIK3CGADORA3
SCHEMBL17017504 0.82 PIK3CD (0.32) PIK3CAPIK3CDPIK3CBPIK3CGADORA3
SCHEMBL29829090 0.82 PIK3CD (0.32) PIK3CAPIK3CDPIK3CBPIK3CGADORA3
SCHEMBL17017490 0.82 ADORA3 (0.33) PIK3CAPIK3CDPIK3CBPIK3CGADORA3
SCHEMBL29829552 0.82 ADORA3 (0.33) PIK3CAPIK3CDPIK3CBPIK3CGADORA3
SCHEMBL19064633 0.82 PIK3CA (0.36) PIK3CAPIK3CDPIK3CBPIK3CGADORA3
SCHEMBL29829148 0.82 PIK3CA (0.36) PIK3CAPIK3CDPIK3CBPIK3CGADORA3
SCHEMBL17017325 0.81 ADORA3 (0.33) PIK3CAPIK3CDPIK3CBPIK3CGADORA3
SCHEMBL29829488 0.81 ADORA3 (0.33) PIK3CAPIK3CDPIK3CBPIK3CGADORA3
SCHEMBL17017505 0.80 PIK3CD (0.31) PIK3CAPIK3CDPIK3CBPIK3CGADORA3

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210107910-A1 Compositions and Methods of Using the Same for Treatment of Neurodegenerative and Mitochondrial Disease MITOKININ, INC. (US) 2021-04-15 US disclosed
US-20210107910-A1 Compositions and Methods of Using the Same for Treatment of Neurodegenerative and Mitochondrial Disease MITOKININ, INC. (US) 2021-04-15 US disclosed
US-10851109-B2 Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease MITOKININ LLC (US) 2020-12-01 US disclosed
US-10851109-B2 Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease MITOKININ LLC (US) 2020-12-01 US disclosed
US-20190194207-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ INC (US) 2019-06-27 US disclosed
US-10167286-B2 Compositions and methods using the same for treatment of neurodegenerative and mitochondrial disease MITOKININ, INC. (US) 2019-01-01 US disclosed
US-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE Mitokinin, LLC (US) 2017-07-06 US disclosed
US-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE Mitokinin, LLC (US) 2017-07-06 US disclosed
WO-2015123365-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ LLC (US) 2015-08-20 WO 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 (5 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-20210107910-A1 Compositions and Methods of Using the Same for Treatment of Neurodegenerative and Mitochondrial Disease NLN, NME4, COQ8A PIK3CA 1740/4885PIK3CD 1818/4885PIK3CB 1690/4885
US-20190194207-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, PDF PIK3CA 3851/4885PIK3CD 3638/4885PIK3CB 2895/4885
US-10167286-B2 Compositions and methods using the same for treatment of neurodegenerative and mitochondrial disease NLN, NME4, COQ8A PIK3CA 1462/4885PIK3CD 1641/4885PIK3CB 1510/4885
US-10851109-B2 Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease NLN, NME4, COQ8A PIK3CA 1740/4885PIK3CD 1818/4885PIK3CB 1690/4885
US-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, MT-ND2 PIK3CA 2872/4885PIK3CD 2432/4885PIK3CB 2142/4885

“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.