SCHEMBL13467136

SCHEMBL13467136

CC(C)c1ccc(N2CCC(N(C)C)C2)nn1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.46
HRH3 Q9Y5N1 5/20 0.44
HRH4 Q9H3N8 4/20 0.42
PDE10A Q9Y233 2/20 0.38
ATM Q13315 2/20 0.38
ATR Q13535 2/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
CDK4 P11802 2/20 0.36
EGLN2 Q96KS0 1/20 0.36
MCHR1 Q99705 1/20 0.36
CCND3 P30281 1/20 0.36
CDK6 Q00534 1/20 0.36
SOS1 Q07889 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 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
SCHEMBL16132009 0.82 MAP4K4 (0.50) MAP4K4HRH3HRH4PDE10AEGLN2
SCHEMBL13279806 0.79 MAP4K4 (0.54) MAP4K4HRH3HRH4PDE10AEGLN2
SCHEMBL18081393 0.79 CHRNB2 (0.55) MAP4K4
SCHEMBL20038654 0.79 MAP4K4 (0.48) MAP4K4HRH3HRH4PDE10AEGLN2
SCHEMBL22006820 0.77 NPC1 (0.50) HRH3
SCHEMBL10141626 0.76 MAP4K4 (0.48) MAP4K4HRH3HRH4ATMATR
SCHEMBL14349211 0.76 MAP4K4 (0.48) MAP4K4HRH3HRH4ATMATR
SCHEMBL15247305 0.76 MAP4K4 (0.48) MAP4K4HRH3HRH4ATMATR
SCHEMBL20046660 0.76 LMNA (0.37) HRH3HRH4
SCHEMBL20037694 0.75 MAP4K4 (0.44) MAP4K4HRH3HRH4PDE10AMCHR1

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-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 US disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 WO 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-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS CSNK1G1, PRKCE, PHKG1 MAP4K4 295/4885HRH3 4523/4885HRH4 4661/4885

“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.