SCHEMBL6894959

SCHEMBL6894959

Cc1n[nH]c2c1c([C@H]1CC[C@H](C(=O)O)CC1)nc1c(-c3ccc4ccccc4c3)cnn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.39
RPTOR Q8N122 2/20 0.39
MLST8 Q9BVC4 2/20 0.39
PIM1 P11309 5/20 0.37
PIM2 Q9P1W9 3/20 0.36
ABL1 P00519 2/20 0.35
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPK1 P28482 3/20 0.35
STAT1 P42224 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
TP53 P04637 2/20 0.34

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
SCHEMBL10328286 0.89 PIK3CA (0.40) MTORRPTORMLST8NPC1RAB9A
SCHEMBL6892350 0.87 MTOR (0.52) MTORRPTORMLST8NPC1RAB9A
SCHEMBL10277447 0.87 MTOR (0.52) MTORRPTORMLST8NPC1RAB9A
SCHEMBL6893540 0.81 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10239757 0.80 PIM1 (0.39) PIM1PIM2ABL1NPC1RAB9A
SCHEMBL10239754 0.80 PIM1 (0.39) PIM1PIM2ABL1NPC1RAB9A
SCHEMBL10328363 0.79 MTOR (0.41) MTORRPTORMLST8
SCHEMBL1072878 0.76 MTOR (0.50) MTORRPTORMLST8
SCHEMBL6890546 0.76 PIK3CA (0.38) MTORRPTORMLST8ABL1NPC1
SCHEMBL16104566 0.75 MTOR (0.49) MTORRPTORMLST8L3MBTL1KDM4E

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.