Sugi Predict

Sugi Predict / Compounds / SCHEMBL6890317

SCHEMBL6890317

SCHEMBL6890317

Cc1n[nH]c2c1c(N1CCS(=O)(=O)CC1)nc1c(-c3cnc4ccccc4c3)cnn12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 1/20 0.35
▸ PARP11 Q9NR21 1/20 0.35
▸ NPC1 O15118 5/20 0.34
▸ RAB9A P51151 5/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ MAPT P10636 4/20 0.33
▸ PIK3CA P42336 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ TP53 P04637 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ MAPK1 P28482 3/20 0.33
▸ HSD17B10 Q99714 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ CASP1 P29466 2/20 0.33
▸ CASP7 P55210 2/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ HTT P42858 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
SCHEMBL6890314 0.89 PRMT5 (0.35) PARP10PARP11PDE10APIK3CAHTR3A
SCHEMBL6892192 0.84 PIK3CA (0.38) PARP10PARP11NPC1RAB9AMAPT
SCHEMBL16104617 0.82 HSP90AA1 (0.35) PARP10PARP11NPC1RAB9APDE10A
SCHEMBL6893626 0.81 PDGFRB (0.38) PARP10PARP11PDE10APIK3CAHTR3A
SCHEMBL6891750 0.78 EGFR (0.36) NPC1RAB9APDE10APIK3CACASP3
SCHEMBL6890546 0.77 PIK3CA (0.38) PARP10PARP11NPC1RAB9AKDM4E
SCHEMBL10238738 0.77 AKR1C3 (0.36) NPC1PIK3CACASP3SENP8SENP7
SCHEMBL6893608 0.77 MAP4K4 (0.38) NPC1PIK3CACASP3SENP8SENP7
SCHEMBL2685790 0.77 NPC1 (0.35) NPC1RAB9AKDM4EMAPTPIK3CA
SCHEMBL10328266 0.76 HSP90AA1 (0.36) PARP10PARP11PIK3CAPDGFRBPDGFRA

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 PARP10 506/4885PARP11 424/4885NPC1 697/4885
US-20110054013-A1 TETRAHYDROPYRANOCHROMENE GAMMA SECRETASE INHIBITORS BACE1, BACE2, PSEN1 PARP10 1710/4885PARP11 837/4885NPC1 1172/4885

“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.