SCHEMBL6891857

SCHEMBL6891857

Cc1n[nH]c2c1c(CC1CCC(C(=O)O)CC1)nc1c(-c3ccc(-c4ccn(C)c4)nc3)cnn12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 3/20 0.36
RPTOR Q8N122 3/20 0.36
MLST8 Q9BVC4 3/20 0.36
CHEK1 O14757 3/20 0.34
CCNA2 P20248 3/20 0.34
CDK2 P24941 3/20 0.34
CCNA1 P78396 3/20 0.34
SYK P43405 2/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
DGAT1 O75907 4/20 0.32
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
VCP P55072 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.30
PIK3CD O00329 2/20 0.30
PIK3R1 P27986 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL1074827 0.92 CHEK1 (0.40) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL1074802 0.90 MTOR (0.44) MTORRPTORMLST8SYKCYP4F2
SCHEMBL10328265 0.89 MTOR (0.35) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL6891563 0.82 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL6891576 0.81 CHEK1 (0.39) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL1076518 0.79 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10277447 0.77 MTOR (0.52) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL6892350 0.77 MTOR (0.52) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL6891270 0.77 MTOR (0.38) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL1073807 0.76 MTOR (0.41) MTORRPTORMLST8

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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 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 (2 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885RPTOR 3/4885MLST8 14/4885
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 MTOR 1824/4885RPTOR 3265/4885MLST8 2126/4885

“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.