SCHEMBL796516

SCHEMBL796516

CCCCNc1ncnc2[nH]cnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.49
CDK1 P06493 3/20 0.48
CCNB2 O95067 2/20 0.48
CCNB1 P14635 2/20 0.48
CCNB3 Q8WWL7 2/20 0.48
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 6/20 0.43
NPSR1 Q6W5P4 2/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
HSD17B10 Q99714 2/20 0.43
ALOX15 P16050 1/20 0.43
GFER P55789 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
S1PR2 O95136 1/20 0.42
ALDH1A1 P00352 4/20 0.42

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
SCHEMBL3806900 0.95 CCNB2 (0.53) HTTCDK1CCNB2CCNB1CCNB3
SCHEMBL5066424 0.94 CCNB2 (0.52) HTTCDK1CCNB2CCNB1CCNB3
SCHEMBL14580085 0.94 CCNB2 (0.52) HTTCDK1CCNB2CCNB1CCNB3
SCHEMBL5177315 0.94 CCNB2 (0.52) HTTCDK1CCNB2CCNB1CCNB3
SCHEMBL8826207 0.90 HTT (0.59) HTTCDK1CCNB2CCNB1CCNB3
SCHEMBL30479201 0.90 HTT (0.59) HTTCDK1CCNB2CCNB1CCNB3
SCHEMBL3917466 0.86 HTT (0.41) HTTCDK1CCNB2CCNB1CCNB3
SCHEMBL21153504 0.83 HTT (0.52) HTTLMNANPSR1TP53MAPT
SCHEMBL5066798 0.83 HTT (0.42) HTTCDK1CCNB2CCNB1CCNB3
SCHEMBL1895231 0.83 HDAC1 (0.41) HTTCDK1CCNB2CCNB1CCNB3

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5183732-A Adenine-type grain growth modifier EASTMAN KODAK COMPANY (US) 1993-02-02 US claimed
US-20220274989-A9 Compositions and Methods of Using the Same for Treatment of Neurodegenerative and Mitochondrial Disease MITOKININ, INC. (US) 2022-09-01 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-20210107910-A1 Compositions and Methods of Using the Same for Treatment of Neurodegenerative and Mitochondrial Disease MITOKININ, INC. (US) 2021-04-15 US disclosed
EP-2953950-B1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES UNIV CALIFORNIA (US) 2021-01-13 EP 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-20200283442-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY MITOKININ, INC. 2020-09-10 US disclosed
US-10723737-B2 Compositions and methods for treating neurodegenerative diseases and cardiomyopathy THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-07-28 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-20160108044-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY MITOKININ, INC. 2016-04-21 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
WO-2014124458-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-08-14 WO disclosed
US-20130231307-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2013-09-05 US disclosed
EP-2616474-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES Centre National De La Recherche Scientifique (FR) 2013-07-24 EP disclosed
WO-2012034719-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2012-03-22 WO disclosed
EP-0517833-B2 REGENERATION AND GENETIC TRANSFORMATION OF SUGAR BEET BAYER BIOSCIENCE NV (BE) 2008-07-16 EP disclosed
EP-0577173-A1 High-chloride folded tabular grain emulsions and process for their preparation EASTMAN KODAK COMPANY (US) 1994-01-05 EP disclosed
EP-0534325-A1 Ultrathin high chloride tabular grain emulsions EASTMAN KODAK COMPANY (US) 1993-03-31 EP disclosed
US-4086347-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS, ANTIEDEMIC AGENTS, HYPOTENSIVES BOEHRINGER MANNHEIM GMBH (DT) 1978-04-25 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 (8 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-10723737-B2 Compositions and methods for treating neurodegenerative diseases and cardiomyopathy PINK1, CKMT1A; CKMT1B, NLN HTT 39/4885CDK1 2699/4885CCNB2 4206/4885
US-20210107910-A1 Compositions and Methods of Using the Same for Treatment of Neurodegenerative and Mitochondrial Disease NLN, NME4, COQ8A HTT 153/4885CDK1 2214/4885CCNB2 4016/4885
US-20160108044-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY PINK1, CKMT1A; CKMT1B, NLN HTT 39/4885CDK1 2699/4885CCNB2 4206/4885
US-20190194207-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, PDF HTT 42/4885CDK1 3523/4885CCNB2 3602/4885
US-20220274989-A9 Compositions and Methods of Using the Same for Treatment of Neurodegenerative and Mitochondrial Disease NLN, NME4, COQ8A HTT 153/4885CDK1 2214/4885CCNB2 4016/4885
US-20130231307-A1 NOVEL ANTIVIRAL ACYCLIC NUCLEOSIDE PHOSPHONATES PNP, TYMP, EIF2AK2 HTT 3727/4885CDK1 203/4885CCNB2 928/4885
US-10851109-B2 Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease NLN, NME4, COQ8A HTT 153/4885CDK1 2214/4885CCNB2 4016/4885
US-20200283442-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY SNCA, SMN1; SMN2, CLN6 HTT 11/4885CDK1 2819/4885CCNB2 4198/4885

“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.