SCHEMBL17017490

SCHEMBL17017490

Cc1cnc(CCc2nc(C)nc3[nH]ncc23)cn1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 9/20 0.33
ADORA1 P30542 3/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
HTT P42858 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
ADORA2A P29274 2/20 0.31
PLK4 O00444 1/20 0.31
PAK4 O96013 1/20 0.31
ALDH1A1 P00352 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
IGF1R P08069 1/20 0.31
FGFR1 P11362 1/20 0.31
KDR P35968 1/20 0.31
ADORA2B P29275 2/20 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
SCHEMBL29829552 1.00 ADORA3 (0.33) ADORA3ADORA1PIK3CDPIK3CAPIK3CB
SCHEMBL29829488 0.88 ADORA3 (0.33) ADORA3ADORA1PIK3CDPIK3CAPIK3CB
SCHEMBL17017325 0.88 ADORA3 (0.33) ADORA3ADORA1PIK3CDPIK3CAPIK3CB
SCHEMBL17017487 0.82 PIK3CA (0.34) ADORA3ADORA1PIK3CDPIK3CAPIK3CB
SCHEMBL29829401 0.82 PIK3CA (0.34) ADORA3ADORA1PIK3CDPIK3CAPIK3CB
SCHEMBL17017504 0.81 PIK3CD (0.32) ADORA3ADORA1PIK3CDPIK3CAPIK3CB
SCHEMBL29829090 0.81 PIK3CD (0.32) ADORA3ADORA1PIK3CDPIK3CAPIK3CB
SCHEMBL29829148 0.77 PIK3CA (0.36) ADORA3ADORA1PIK3CDPIK3CAPIK3CB
SCHEMBL19064633 0.77 PIK3CA (0.36) ADORA3ADORA1PIK3CDPIK3CAPIK3CB
SCHEMBL17017496 0.77 CYP3A4 (0.46) ALDH1A1SMN1; SMN2IGF1RFGFR1KDR

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 12 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-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-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
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 ADORA3 667/4885ADORA1 566/4885PIK3CD 1818/4885
US-20190194207-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, PDF ADORA3 3956/4885ADORA1 3631/4885PIK3CD 3638/4885
US-10167286-B2 Compositions and methods using the same for treatment of neurodegenerative and mitochondrial disease NLN, NME4, COQ8A ADORA3 557/4885ADORA1 533/4885PIK3CD 1641/4885
US-10851109-B2 Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease NLN, NME4, COQ8A ADORA3 667/4885ADORA1 566/4885PIK3CD 1818/4885
US-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, MT-ND2 ADORA3 3054/4885ADORA1 3132/4885PIK3CD 2432/4885

“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.