SCHEMBL17017495

SCHEMBL17017495

Cc1cncc(CNc2ncnc3[nH]ncc23)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.55
LMNA P02545 2/20 0.54
CYP1A2 P05177 3/20 0.54
POLB P06746 2/20 0.50
PDPK1 O15530 2/20 0.50
SLC29A1 Q99808 1/20 0.46
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MAPK1 P28482 2/20 0.42
HPGDS O60760 1/20 0.42
MKNK1 Q9BUB5 5/20 0.40
CCNT1 O60563 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK9 P50750 1/20 0.40
CCNA1 P78396 1/20 0.40
RET P07949 1/20 0.40
PI4KA P42356 1/20 0.40
XDH P47989 1/20 0.40

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
SCHEMBL29829146 1.00 ALDH1A1 (0.55) ALDH1A1LMNACYP1A2POLBPDPK1
SCHEMBL17017497 0.84 CYP1A2 (0.56) ALDH1A1LMNACYP1A2POLBPDPK1
SCHEMBL29829560 0.84 CYP1A2 (0.56) ALDH1A1LMNACYP1A2POLBPDPK1
SCHEMBL29830285 0.83 CYP1A2 (0.36) ALDH1A1LMNACYP1A2TSHRHTT
SCHEMBL17017499 0.83 CYP1A2 (0.36) ALDH1A1LMNACYP1A2TSHRHTT
SCHEMBL29829494 0.81 ALDH1A1 (0.57) ALDH1A1LMNACYP1A2POLBPDPK1
SCHEMBL17017498 0.81 ALDH1A1 (0.57) ALDH1A1LMNACYP1A2POLBPDPK1
SCHEMBL17017492 0.76 PRMT1 (0.35) ALDH1A1LMNACYP1A2TSHRHTT
SCHEMBL17017326 0.74 CYP1A2 (0.59) ALDH1A1LMNACYP1A2POLBPDPK1
SCHEMBL19082967 0.73 ALDH1A1 (0.57) ALDH1A1LMNACYP1A2POLBPDPK1

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 9 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-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 ALDH1A1 1829/4885LMNA 1287/4885CYP1A2 3043/4885
US-20190194207-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, PDF ALDH1A1 1473/4885LMNA 425/4885CYP1A2 3632/4885
US-10167286-B2 Compositions and methods using the same for treatment of neurodegenerative and mitochondrial disease NLN, NME4, COQ8A ALDH1A1 1995/4885LMNA 1217/4885CYP1A2 3069/4885
US-10851109-B2 Compositions and methods of using the same for treatment of neurodegenerative and mitochondrial disease NLN, NME4, COQ8A ALDH1A1 1829/4885LMNA 1287/4885CYP1A2 3043/4885
US-20170190704-A1 COMPOSITIONS AND METHODS USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, HAGH, MT-ND2 ALDH1A1 2073/4885LMNA 1132/4885CYP1A2 4144/4885

“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.