SCHEMBL20413754

SCHEMBL20413754

CCOC(=O)/C(=C\Nc1nccn1C)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.39
▸ FDPS P14324 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ RGS12 O14924 1/20 0.36
▸ DHODH Q02127 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ PKM P14618 1/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL20418831 0.86 MAPT (0.56) MAPTCYP3A4CYP2D6CYP1A2MAPK1
SCHEMBL8971670 0.73 ALDH1A1 (0.44) MAPTCYP1A2CYP2C19FDPSALDH1A1
Hydrochloric Acid SCHEMBL8971417 0.72 ALDH1A1 (0.43) MAPTCYP1A2CYP2C19FDPSALDH1A1
SCHEMBL15979037 0.70 MAPT (0.51) MAPTCYP3A4CYP2D6CYP1A2MAPK1
SCHEMBL12565433 0.70 MAPT (0.51) MAPTCYP3A4CYP2D6CYP1A2MAPK1
SCHEMBL18057578 0.69 NPSR1 (0.42) MAPTCYP3A4CYP2D6CYP1A2MAPK1
SCHEMBL7602247 0.69 CYP1A2 (0.62) MAPTCYP1A2MAPK1CYP2C19NPSR1
SCHEMBL12786929 0.69 DHODH (0.72) MAPTCYP1A2CYP2C19NPSR1ALDH1A1
SCHEMBL6730848 0.69 CYP1A2 (0.62) MAPTCYP1A2MAPK1CYP2C19NPSR1
SCHEMBL368253 0.68 LPO (0.39) MAPTCYP1A2MAPK1ALDH1A1RGS12

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-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation Sanford Burnham Prebys Medical Discovery Institute 2018-07-26 — — 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-20180207140-A1 Pyrazolopyrimidines as Inhibitors of Glucocorticoid Receptor Translocation NR3C1, NR3C2, GRK3 MAPT 1843/4885CYP3A4 2711/4885CYP2D6 2827/4885

“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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