SCHEMBL21998534

SCHEMBL21998534

CC(C)(C)c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.74
AKT2 P31751 1/20 0.74
TDP1 Q9NUW8 2/20 0.63
L3MBTL1 Q9Y468 5/20 0.58
KDM4E B2RXH2 5/20 0.58
LMNA P02545 4/20 0.58
GAA P10253 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 4/20 0.58
NPSR1 Q6W5P4 1/20 0.58
HDAC6 Q9UBN7 1/20 0.51
TNF P01375 1/20 0.51
NOD1 Q9Y239 1/20 0.51
TNKS O95271 1/20 0.50
TNKS2 Q9H2K2 1/20 0.50
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL12156506 0.91 AKT1 (0.62) AKT1AKT2TDP1L3MBTL1KDM4E
SCHEMBL4750642 0.89 AKT1 (0.60) AKT1AKT2TDP1L3MBTL1KDM4E
SCHEMBL14278952 0.88 AKT1 (0.68) AKT1AKT2TDP1L3MBTL1KDM4E
SCHEMBL12721780 0.86 AKT1 (0.57) AKT1AKT2TDP1L3MBTL1KDM4E
SCHEMBL12721863 0.86 AKT1 (0.57) AKT1AKT2TDP1L3MBTL1KDM4E
SCHEMBL13727536 0.86 KIF11 (0.67) AKT1AKT2TDP1L3MBTL1KDM4E
SCHEMBL12690677 0.85 AKT1 (0.56) AKT1AKT2TDP1L3MBTL1KDM4E
SCHEMBL8011433 0.85 AKT1 (0.56) AKT1AKT2TDP1L3MBTL1KDM4E
SCHEMBL4605370 0.85 AKT1 (1.00) AKT1AKT2TDP1L3MBTL1KDM4E
SCHEMBL13726280 0.84 KIF11 (0.73) AKT1AKT2TDP1L3MBTL1KDM4E

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-20200148682-A1 AKT ISOZYME-SPECIFIC COVALENT INHIBITORS DERIVED FROM REDOX-SIGNALING LIPIDS CORNELL UNIVERSITY 2020-05-14 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-20200148682-A1 AKT ISOZYME-SPECIFIC COVALENT INHIBITORS DERIVED FROM REDOX-SIGNALING LIPIDS AKT1, ROS1, AKT3 AKT1 1/4885AKT2 4/4885TDP1 3025/4885

“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.