SCHEMBL9609211

SCHEMBL9609211

c1ccc(CCNc2ncnc3[nH]cnc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.64
HTT P42858 3/20 0.64
TAAR1 Q96RJ0 1/20 0.64
SLC29A1 Q99808 1/20 0.57
LMNA P02545 4/20 0.55
EGFR P00533 1/20 0.55
APP P05067 1/20 0.55
TSHR P16473 4/20 0.54
HSD17B10 Q99714 2/20 0.54
NUDT1 P36639 1/20 0.53
TMIGD3 P0DMS9 3/20 0.52
ADORA2A P29274 3/20 0.52
ADORA1 P30542 3/20 0.52
ADORA2B P29275 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ADK P55263 1/20 0.47

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
SCHEMBL20119632 0.87 HTT (0.49) MAPK1HTTTAAR1SLC29A1LMNA
SCHEMBL30850642 0.87 HTT (0.49) MAPK1HTTTAAR1SLC29A1LMNA
SCHEMBL20119324 0.86 GALR3 (0.58) MAPK1HTTTAAR1SLC29A1LMNA
SCHEMBL17933849 0.86 HTT (0.49) MAPK1HTTTAAR1SLC29A1LMNA
SCHEMBL30850528 0.85 HTT (0.48) MAPK1HTTTAAR1SLC29A1LMNA
SCHEMBL20119357 0.85 HTT (0.48) MAPK1HTTTAAR1SLC29A1LMNA
6-Benzylaminopurine SCHEMBL37357 0.85 LMNA (0.62) MAPK1HTTLMNAEGFRTSHR
6-Benzylaminopurine SCHEMBL29772173 0.85 LMNA (0.62) MAPK1HTTLMNAEGFRTSHR
6-Benzylaminopurine SCHEMBL28824679 0.85 LMNA (0.62) MAPK1HTTLMNAEGFRTSHR
SCHEMBL20119574 0.84 POLB (0.47) MAPK1HTTTAAR1SLC29A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220162215-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ INC (US) 2022-05-26 US disclosed
EP-2953950-B1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES UNIV CALIFORNIA (US) 2021-01-13 EP disclosed
WO-2020206363-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE MITOKININ,INC. (US) 2020-10-08 WO 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-20180072731-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY MITOKININ, INC. 2018-03-15 US disclosed
US-20180072731-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY MITOKININ, INC. 2018-03-15 US disclosed
US-20160108044-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY MITOKININ, INC. 2016-04-21 US disclosed
US-20160108044-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY MITOKININ, INC. 2016-04-21 US 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-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use SDS BIOTECH K.K. (JP) 2012-05-31 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 (6 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-20180072731-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY PINK1, CKMT1A; CKMT1B, NLN MAPK1 2154/4885HTT 39/4885TAAR1 4611/4885
US-10723737-B2 Compositions and methods for treating neurodegenerative diseases and cardiomyopathy PINK1, CKMT1A; CKMT1B, NLN MAPK1 2154/4885HTT 39/4885TAAR1 4611/4885
US-20120136150-A1 4-(3-Butynyl)Aminopyrimidine Derivatives as Pest Control Agents for Agricultural and Horticultural Use CBR3, CBR1, HRH2 MAPK1 4076/4885HTT 2572/4885TAAR1 100/4885
US-20160108044-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY PINK1, CKMT1A; CKMT1B, NLN MAPK1 2154/4885HTT 39/4885TAAR1 4611/4885
US-20220162215-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, PINK1, NME4 MAPK1 2099/4885HTT 145/4885TAAR1 4086/4885
US-20200283442-A1 COMPOSITIONS AND METHODS FOR TREATING NEURODEGENERATIVE DISEASES AND CARDIOMYOPATHY SNCA, SMN1; SMN2, CLN6 MAPK1 2009/4885HTT 11/4885TAAR1 4768/4885

“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.