SCHEMBL2295960

SCHEMBL2295960

COc1ccc2c3c(n(C)c2c1)-c1cc(F)ccc1C3[Si](C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.37
DYRK1A Q13627 1/20 0.37
EGFR P00533 1/20 0.35
NTRK1 P04629 2/20 0.34
PRKCA P17252 1/20 0.34
GSK3B P49841 1/20 0.34
MAPT P10636 1/20 0.33
PDE2A O00408 1/20 0.33
PDE10A Q9Y233 1/20 0.33
MET P08581 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
TRPA1 O75762 2/20 0.32
MIF P14174 1/20 0.32
DPP4 P27487 1/20 0.32
HTR1A P08908 1/20 0.32
DRD4 P21917 1/20 0.32
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32

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
SCHEMBL12422981 1.00 MAOA (0.37) MAOADYRK1AEGFRNTRK1PRKCA
SCHEMBL12422969 0.85 MAOA (0.39) MAOADYRK1AEGFRNTRK1MAPT
SCHEMBL2293889 0.85 MAOA (0.39) MAOADYRK1AEGFRNTRK1MAPT
SCHEMBL12382620 0.85 ATM (0.32) NTRK1SLC6A4
SCHEMBL12382609 0.82 NTRK1 (0.48) NTRK1MAPTKDM4EALDH1A1HPGD
SCHEMBL2295261 0.82 NTRK1 (0.48) NTRK1MAPTKDM4EALDH1A1HPGD
SCHEMBL2297131 0.82 ATM (0.42) NTRK1MAPTKDM4EALDH1A1HPGD
SCHEMBL12382614 0.82 ATM (0.42) NTRK1MAPTKDM4EALDH1A1HPGD
SCHEMBL12382603 0.80 ATM (0.42) NTRK1PDE2APDE10A
SCHEMBL2292309 0.69 MAOA (0.47) MAOADYRK1ANTRK1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045207-A1 COMPOSITIONS AND METHODS FOR MODIFICATION OF BIOMOLECULES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-13 US disclosed
US-8519122-B2 Compositions and methods for modification of biomolecules THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-27 US disclosed
US-20110207147-A1 Compositions and Methods for Modification of Biomolecules NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-08-25 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-20110207147-A1 Compositions and Methods for Modification of Biomolecules PTMS, APEX1, ALG1 MAOA 1070/4885DYRK1A 2478/4885EGFR 779/4885

“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.