Sugi Predict

Sugi Predict / Compounds / SCHEMBL2512175

SCHEMBL2512175

SCHEMBL2512175

CN(CCOC(=O)CN)S(=O)(=O)c1ccccc1-c1ccc2nc(N)nc(C(=O)N3Cc4ccccc4C3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 11/20 0.57
▸ HSP90AB1 P08238 3/20 0.49
▸ F10 P00742 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ P2RX3 P56373 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ GPR55 Q9Y2T6 1/20 0.32
▸ HSP90B1 P14625 1/20 0.32
▸ TRAP1 Q12931 1/20 0.32
▸ DHFR P00374 1/20 0.32
▸ BCL2 P10415 1/20 0.31
▸ MCL1 Q07820 1/20 0.31
▸ BAD Q92934 1/20 0.31
▸ ALOX5AP P20292 1/20 0.31
▸ FEN1 P39748 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
SCHEMBL2338667 0.88 HSP90AA1 (0.65) HSP90AA1HSP90AB1F10ALDH1A1LMNA
SCHEMBL13144900 0.88 HSP90AA1 (0.63) HSP90AA1HSP90AB1F10ALDH1A1LMNA
SCHEMBL2510646 0.86 HSP90AA1 (0.60) HSP90AA1HSP90AB1F10ALDH1A1LMNA
SCHEMBL12199704 0.85 HSP90AA1 (0.57) HSP90AA1HSP90AB1F10ALDH1A1LMNA
SCHEMBL12199666 0.85 HSP90AA1 (0.66) HSP90AA1HSP90AB1F10P2RX3ALOX5AP
SCHEMBL2512177 0.84 HSP90AA1 (0.57) HSP90AA1HSP90AB1F10KDM4EMAPT
SCHEMBL2512041 0.83 HSP90AA1 (0.64) HSP90AA1HSP90AB1F10P2RX3KDM4E
SCHEMBL17387504 0.82 HSP90AA1 (0.66) HSP90AA1HSP90AB1F10ALDH1A1LMNA
SCHEMBL2338324 0.81 HSP90AA1 (0.64) HSP90AA1HSP90AB1F10ALOX5APFEN1
SCHEMBL17387534 0.81 HSP90AA1 (0.61) HSP90AA1HSP90AB1F10P2RX3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356110-B1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-06 — — EP claimed
EP-2356110-B1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2016-01-06 — — EP disclosed
US-8546565-B2 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT (DE) 2013-10-01 — — US disclosed
US-8546565-B2 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT (DE) 2013-10-01 — — US disclosed
US-8546565-B2 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT (DE) 2013-10-01 — — US disclosed
US-20110245225-A1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 2011-10-06 — — US disclosed
US-20110245225-A1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 2011-10-06 — — US disclosed
US-20110245225-A1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTING (DE) 2011-10-06 — — US disclosed
WO-2010066324-A1 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2010-06-17 — — 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 (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-20110245225-A1 QUINAZOLINAMIDE DERIVATIVES HSP90AB1, HSP90AA1, HSP90B1 HSP90AA1 2/4885HSP90AB1 1/4885F10 3318/4885

“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.