Sugi Predict

Sugi Predict / Compounds / SCHEMBL6893626

SCHEMBL6893626

SCHEMBL6893626

O=S1(=O)CCN(c2nc3c(-c4cnc5ccccc5c4)cnn3c3[nH]ccc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.36
▸ HTR6 P50406 2/20 0.34
▸ PIK3CA P42336 3/20 0.33
▸ MTOR P42345 3/20 0.33
▸ PARP10 Q53GL7 1/20 0.33
▸ PARP11 Q9NR21 1/20 0.33
▸ TOP2A P11388 1/20 0.33
▸ TOP2B Q02880 1/20 0.33
▸ ATR Q13535 3/20 0.33
▸ ATRIP Q8WXE1 3/20 0.33
▸ HTR3A P46098 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ TDP2 O95551 1/20 0.32
▸ NISCH Q9Y2I1 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ RPTOR Q8N122 1/20 0.32

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
SCHEMBL6893094 0.83 MTOR (0.43) PDGFRBPDGFRAPIK3CAMTORPARP10
SCHEMBL6890317 0.81 PARP10 (0.35) PDGFRBPDGFRAPDE10APIK3CAMTOR
SCHEMBL6891750 0.80 EGFR (0.36) PDE10APIK3CAHTR3A
SCHEMBL6890314 0.79 PRMT5 (0.35) PDGFRBPDGFRAPDE10APIK3CAMTOR
SCHEMBL6891730 0.78 AKT1 (0.35) PDE10APIK3CAMTORHTR3A
SCHEMBL10238738 0.77 AKR1C3 (0.36) PIK3CAMTORPIK3CD
SCHEMBL6893608 0.77 MAP4K4 (0.38) PIK3CAMTORFASN
SCHEMBL2685790 0.77 NPC1 (0.35) PIK3CAATRATRIPHTR3A
SCHEMBL6894955 0.77 EGFR (0.34) PDE10APIK3CAMTORPARP10PARP11
SCHEMBL7881257 0.76 PIK3CA (0.35) PIK3CAMTORPIK3CD

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 6 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
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 — — US disclosed
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS MERCK SHARP & DOHME CORP. 2011-03-03 — — US disclosed
WO-2011002887-A1 FUSED TRICYCLIC COMPOUNDS AS NOVEL mTOR INHIBITORS SCHERING CORPORATION (US) 2011-01-06 — — 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 (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 PDGFRB 1401/4885PDGFRA 1207/4885PDE10A 4358/4885
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 PDGFRB 2505/4885PDGFRA 2830/4885PDE10A 3455/4885

“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.