Sugi Predict

Sugi Predict / Compounds / SCHEMBL6892192

SCHEMBL6892192

SCHEMBL6892192

Cc1n[nH]c2c1c(C1CCS(=O)(=O)CC1)nc1c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 5/20 0.38
▸ MTOR P42345 5/20 0.37
▸ RPTOR Q8N122 2/20 0.37
▸ MLST8 Q9BVC4 2/20 0.37
▸ AKT1 P31749 2/20 0.36
▸ PARP10 Q53GL7 1/20 0.35
▸ PARP11 Q9NR21 1/20 0.35
▸ HSP90AA1 P07900 5/20 0.34
▸ PDGFRB P09619 1/20 0.34
▸ PDGFRA P16234 1/20 0.34
▸ BRD4 O60885 2/20 0.33
▸ CREBBP Q92793 2/20 0.33
▸ EGFR P00533 3/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ HCK P08631 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ PIK3CB P42338 1/20 0.33
▸ PIK3CG P48736 1/20 0.33

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
SCHEMBL6894476 0.91 MTOR (0.34) PIK3CAMTORRPTORMLST8HSP90AA1
SCHEMBL10328276 0.90 KDM4E (0.34) MTORRPTORMLST8NPC1MAPT
SCHEMBL6890546 0.89 PIK3CA (0.38) PIK3CAMTORRPTORMLST8AKT1
SCHEMBL10328266 0.89 HSP90AA1 (0.36) PIK3CAMTORRPTORMLST8AKT1
SCHEMBL10328286 0.86 PIK3CA (0.40) PIK3CAMTORRPTORMLST8AKT1
SCHEMBL6890317 0.84 PARP10 (0.35) PIK3CAMTORAKT1PARP10PARP11
SCHEMBL6890896 0.84 MTOR (0.52) MTORRPTORMLST8NPC1MAPT
SCHEMBL6893094 0.82 MTOR (0.43) PIK3CAMTORRPTORMLST8AKT1
SCHEMBL6889614 0.81 MTOR (0.45) MTORRPTORMLST8PIK3CDKDR
SCHEMBL10328224 0.79 PIK3CA (0.41) PIK3CAMTORAKT1HSP90AA1EGFR

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 PIK3CA 33/4885MTOR 1/4885RPTOR 3/4885
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 PIK3CA 2681/4885MTOR 1824/4885RPTOR 3265/4885

“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.