SCHEMBL17017087

SCHEMBL17017087

c1nc(CCC2CCCO2)c2ncn(C3CCCCO3)c2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.61
▸ PI4KA P42356 4/20 0.58
▸ PI4K2B Q8TCG2 4/20 0.58
▸ PI4K2A Q9BTU6 4/20 0.58
▸ PI4KB Q9UBF8 4/20 0.58
▸ MEN1 O00255 2/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ TP53 P04637 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.58
▸ APEX1 P27695 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ ADCY1 Q08828 1/20 0.58
▸ CYP1A2 P05177 2/20 0.53
▸ TSHR P16473 1/20 0.53
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52

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
SCHEMBL9884055 0.82 CYP2C19 (0.67) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL18587087 0.79 NPC1 (0.61) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL17009420 0.78 CYP2C19 (0.54) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL27920376 0.77 NPC1 (0.69) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL4572213 0.76 CYP2C19 (0.74) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL31569297 0.76 CYP2C19 (0.74) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL29665002 0.76 NPC1 (0.64) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL18587962 0.76 NPC1 (0.64) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL675830 0.75 PI4KA (0.92) CYP2C19PI4KAPI4K2BPI4K2API4KB
SCHEMBL115599 0.75 CYP2C19 (0.68) CYP2C19PI4KAPI4K2BPI4K2API4KB

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 7 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
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 CYP2C19 1436/4885PI4KA 3350/4885PI4K2B 3271/4885
US-20190194207-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, PDF CYP2C19 4319/4885PI4KA 4199/4885PI4K2B 3857/4885
US-10167286-B2 Compositions and methods using the same for treatment of neurodegenerative and mitochondrial disease NLN, NME4, COQ8A CYP2C19 1290/4885PI4KA 3084/4885PI4K2B 3024/4885
US-10851109-B2 Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease NLN, NME4, COQ8A CYP2C19 1436/4885PI4KA 3350/4885PI4K2B 3271/4885
US-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, MT-ND2 CYP2C19 4071/4885PI4KA 3867/4885PI4K2B 3099/4885

“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.

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