SCHEMBL22524331

SCHEMBL22524331

c1ccc2c(c1)CC[C@H]2Nc1ncnc2[nH]cnc12

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.56
RPS6KB1 P23443 3/20 0.56
EGFR P00533 1/20 0.52
AURKB Q96GD4 1/20 0.48
NAE1 Q13564 3/20 0.46
UBA3 Q8TBC4 3/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
PDPK1 O15530 1/20 0.44
CDK1 P06493 1/20 0.44
UBA6 A0AVT1 1/20 0.44
ATG7 O95352 1/20 0.44
UBA7 P41226 1/20 0.44
SAE1 Q9UBE0 1/20 0.44
FADS1 O60427 1/20 0.42
JAK2 O60674 2/20 0.41
JAK3 P52333 2/20 0.41

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
SCHEMBL22524329 1.00 AURKA (0.56) AURKARPS6KB1EGFRAURKBNAE1
SCHEMBL22524270 0.81 LRRK2 (0.40) AURKARPS6KB1EGFRAURKBJAK2
SCHEMBL22524327 0.81 LRRK2 (0.40) AURKARPS6KB1EGFRAURKBJAK2
SCHEMBL24453689 0.81 LRRK2 (0.40) AURKARPS6KB1EGFRAURKBJAK2
SCHEMBL1798451 0.81 FADS1 (0.45) AURKARPS6KB1EGFRCA1CA2
SCHEMBL1797157 0.81 CDK1 (0.48) AURKARPS6KB1EGFRCA1CA2
SCHEMBL193515 0.81 AURKA (0.57) AURKARPS6KB1EGFRAURKBNAE1
SCHEMBL6746641 0.81 AURKA (0.57) AURKARPS6KB1EGFRAURKBNAE1
SCHEMBL19010820 0.79 CDK1 (0.47) AURKARPS6KB1EGFRCA1CA2
SCHEMBL22524325 0.78 GAA (0.41) AURKARPS6KB1EGFRAURKB

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 2 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20220162215-A1 COMPOSITIONS AND METHODS OF USING THE SAME FOR TREATMENT OF NEURODEGENERATIVE AND MITOCHONDRIAL DISEASE NLN, PINK1, NME4 AURKA 2173/4885RPS6KB1 955/4885EGFR 4203/4885

“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.