SCHEMBL10328286

SCHEMBL10328286

Cc1n[nH]c2c1c([C@H]1CC[C@H](C(=O)O)CC1)nc1c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.40
MTOR P42345 4/20 0.39
RPTOR Q8N122 2/20 0.39
MLST8 Q9BVC4 2/20 0.39
AKT1 P31749 2/20 0.38
HSP90AA1 P07900 7/20 0.37
EGFR P00533 3/20 0.34
FGFR2 P21802 3/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
CLK1 P49759 1/20 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
SCHEMBL6894959 0.89 MTOR (0.39) MTORRPTORMLST8KDM4EMEN1
SCHEMBL6890546 0.88 PIK3CA (0.38) PIK3CAMTORRPTORMLST8AKT1
SCHEMBL6892192 0.86 PIK3CA (0.38) PIK3CAMTORRPTORMLST8AKT1
SCHEMBL6892350 0.86 MTOR (0.52) MTORRPTORMLST8KDM4EMEN1
SCHEMBL10277447 0.86 MTOR (0.52) MTORRPTORMLST8KDM4EMEN1
SCHEMBL7875031 0.81 PIK3CA (0.41) PIK3CAMTORAKT1HSP90AA1EGFR
SCHEMBL7878718 0.81 PIK3CA (0.41) PIK3CAMTORAKT1HSP90AA1EGFR
SCHEMBL6893540 0.80 MTOR (0.43) MTORRPTORMLST8
SCHEMBL6893167 0.79 CHEK1 (0.46) PIK3CAMTORAKT1EGFRFGFR2
SCHEMBL2680118 0.79 CHEK1 (0.46) PIK3CAMTORAKT1EGFRFGFR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2448942-B1 FUSED TRICYCLIC COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed
US-20120178744-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-07-12 US disclosed
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 PIK3CA 33/4885MTOR 1/4885RPTOR 3/4885

“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.