SCHEMBL10328347

SCHEMBL10328347

O=S1(=O)CCC(c2nc3c(-c4ccc(-c5ccccc5)nc4)cnn3c3c2CCN3)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.44
RPTOR Q8N122 4/20 0.44
MLST8 Q9BVC4 4/20 0.44
CHEK1 O14757 8/20 0.37
CCNA2 P20248 5/20 0.37
CDK2 P24941 5/20 0.37
CCNA1 P78396 5/20 0.37
JAK1 P23458 1/20 0.33
CAMKK1 Q8N5S9 1/20 0.33
CAMKK2 Q96RR4 1/20 0.33
MAPT P10636 3/20 0.32
PLAT P00750 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
WNT3A P56704 1/20 0.31

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
SCHEMBL41447 0.90 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10328351 0.88 MTOR (0.45) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL10210938 0.83 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL15007449 0.83 MTOR (0.42) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL15026255 0.80 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL6890659 0.80 MTOR (0.52) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL6891460 0.80 MTOR (0.65) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL30716 0.80 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL2688635 0.79 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2
SCHEMBL7883621 0.79 MTOR (0.43) MTORRPTORMLST8CHEK1CCNA2

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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 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-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MTOR, RICTOR, RPTOR MTOR 1/4885RPTOR 3/4885MLST8 14/4885

“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.