SCHEMBL17009463

SCHEMBL17009463

Cc1nc(CCc2ccco2)c2cn[nH]c2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
HSD17B10 Q99714 4/20 0.37
PKM P14618 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37
MAPK1 P28482 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
IGF1R P08069 1/20 0.35
FGFR1 P11362 1/20 0.35
KDR P35968 1/20 0.35
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34

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
SCHEMBL29829258 0.80 PKM (0.33) POLBADORA1HSD17B10PKMMEN1
SCHEMBL19082946 0.80 ADORA2A (0.40) POLBADORA2AADORA1HSD17B10PKM
SCHEMBL17017077 0.80 PKM (0.33) POLBADORA1HSD17B10PKMMEN1
SCHEMBL29829569 0.78 PIK3CD (0.31) ALDH1A1HTTSMN1; SMN2PIK3CDPIK3CA
SCHEMBL19064634 0.78 POLB (0.65) POLBHSD17B10PKMMEN1KMT2A
SCHEMBL29830292 0.75 SGK1 (0.34)
SCHEMBL17017075 0.75 SGK1 (0.34)
SCHEMBL19064633 0.72 PIK3CA (0.36) ADORA1ADORA3ALDH1A1HTTSMN1; SMN2
SCHEMBL29829148 0.72 PIK3CA (0.36) ADORA1ADORA3ALDH1A1HTTSMN1; SMN2
SCHEMBL16975637 0.72 HTT (0.42) ADORA2AADORA1ADORA3ALDH1A1HTT

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 10 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-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
US-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE Mitokinin, LLC (US) 2017-07-06 US disclosed
EP-3104706-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE Mitokinin LLC (US) 2016-12-21 EP 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
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 POLB 320/4885ADORA2A 456/4885ADORA1 566/4885
US-20190194207-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, PDF POLB 416/4885ADORA2A 3368/4885ADORA1 3631/4885
US-10167286-B2 Compositions and methods using the same for treatment of neurodegenerative and mitochondrial disease NLN, NME4, COQ8A POLB 260/4885ADORA2A 437/4885ADORA1 533/4885
US-10851109-B2 Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease NLN, NME4, COQ8A POLB 320/4885ADORA2A 456/4885ADORA1 566/4885
US-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, MT-ND2 POLB 285/4885ADORA2A 2852/4885ADORA1 3132/4885

“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.