SCHEMBL21799211

SCHEMBL21799211

[c]1c(-n2c(-c3ccccc3)ccc2-c2ccccc2)cccc1-n1c(-c2ccccc2)ccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPK1 P28482 2/20 0.45
XBP1 P17861 1/20 0.45
CHEK1 O14757 1/20 0.37
MAP4K4 O95819 1/20 0.37
CSF1R P07333 1/20 0.37
PRKACA P17612 1/20 0.37
KDR P35968 1/20 0.37
CDK8 P49336 1/20 0.37
MAP2K1 Q02750 1/20 0.37
ACVR1 Q04771 1/20 0.37
MAP4K2 Q12851 1/20 0.37
ROCK1 Q13464 1/20 0.37
DYRK1A Q13627 1/20 0.37
AURKB Q96GD4 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
ALDH1A1 P00352 7/20 0.37
PKM P14618 3/20 0.37
HTT P42858 1/20 0.36

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
SCHEMBL715856 0.78 MAPT (0.42) MAPTKDM4EMAPK1XBP1CHEK1
SCHEMBL21799208 0.71 MAPT (0.59) MAPTKDM4EMAPK1XBP1CHEK1
SCHEMBL11310071 0.70 MAPT (0.52) MAPTKDM4EMAPK1XBP1ALDH1A1
SCHEMBL16190872 0.67 MAPT (0.59) MAPTKDM4EMAPK1XBP1ALDH1A1
SCHEMBL715857 0.67 MAPT (0.44) MAPTKDM4EMAPK1XBP1ALDH1A1
SCHEMBL12224228 0.67 MAPT (0.59) MAPTKDM4EMAPK1XBP1ALDH1A1
SCHEMBL16178655 0.67 MAPT (0.70) MAPTKDM4EMAPK1XBP1CHEK1
SCHEMBL12176236 0.64 ALDH1A1 (0.46) MAPTKDM4EMAPK1XBP1ALDH1A1
SCHEMBL16193326 0.62 ALDH1A1 (0.44) MAPTKDM4EMAPK1XBP1CHEK1
SCHEMBL973230 0.62 KMT2A (0.50) MAPTKDM4EMAPK1XBP1MAP4K4

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-20200079802-A1 ORGANOSILICON ON SOLID OXIDES, AND RELATED COMPLEXES, COMPOSITIONS, METHODS AND SYSTEMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-03-12 US claimed
US-20200079802-A1 ORGANOSILICON ON SOLID OXIDES, AND RELATED COMPLEXES, COMPOSITIONS, METHODS AND SYSTEMS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-03-12 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-20200079802-A1 ORGANOSILICON ON SOLID OXIDES, AND RELATED COMPLEXES, COMPOSITIONS, METHODS AND SYSTEMS HAO2, AOC3, OSTC MAPT 4087/4885KDM4E 4579/4885MAPK1 3023/4885

“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.