SCHEMBL24349337

SCHEMBL24349337

CC1(C)c2nc3cccnc3nc2-c2nc3ncccc3nc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.44
ALDH1A1 P00352 3/20 0.38
BCHE P06276 3/20 0.36
ACHE P22303 3/20 0.36
POLB P06746 1/20 0.33
PRMT5 O14744 1/20 0.32
HTT P42858 3/20 0.32
LMNA P02545 2/20 0.32
HSP90AA1 P07900 2/20 0.32
MAPT P10636 2/20 0.32
HIF1A Q16665 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
HSP90AB1 P08238 1/20 0.32
BLM P54132 1/20 0.32
KMT2A Q03164 1/20 0.32
DHODH Q02127 1/20 0.31
NUDT1 P36639 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL24349332 0.89 MAPK14 (0.39) MAPK14ALDH1A1BCHEACHECYP1A2
SCHEMBL21226341 0.82 PDK2 (0.39) MAPK14ALDH1A1BCHEACHEPOLB
SCHEMBL24349335 0.79 MAPK14 (0.35) MAPK14ALDH1A1BCHEACHEKMT2A
SCHEMBL24349361 0.77 CYP3A4 (0.39) MAPK14ALDH1A1POLBLMNAMAPT
SCHEMBL24349342 0.76 MAPT (0.46) ALDH1A1POLBHTTLMNAMAPT
SCHEMBL1616244 0.70 BCHE (0.45) MAPK14ALDH1A1BCHEACHEPRMT5
SCHEMBL2491025 0.70 ALDH1A1 (0.44) MAPK14ALDH1A1BCHEACHEPOLB
SCHEMBL15423517 0.69 ALDH1A1 (0.40) MAPK14ALDH1A1BCHEACHEHTT
SCHEMBL284971 0.69 MAPK14 (0.63) MAPK14ALDH1A1HTTLMNAMEN1
SCHEMBL29516689 0.69 MAPK14 (0.63) MAPK14ALDH1A1HTTLMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220081510-A1 THERMOPLASTIC RESIN, OPTICAL FILM MADE THEREFROM, DIOL COMPOUND, DIESTER COMPOUND MITSUBISHI CHEMICAL CORPORATION (JP) 2022-03-17 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 (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-20220081510-A1 THERMOPLASTIC RESIN, OPTICAL FILM MADE THEREFROM, DIOL COMPOUND, DIESTER COMPOUND RTF1, RNF10, RAD51 MAPK14 2545/4885ALDH1A1 377/4885BCHE 4184/4885

“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.