Sugi Predict

Sugi Predict / Compounds / SCHEMBL4745018

SCHEMBL4745018

SCHEMBL4745018

Nc1ncnc2[nH]c(=S)[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 1/20 1.00
▸ TDP1 Q9NUW8 1/20 0.45
▸ ADORA2A P29274 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ PI4KA P42356 8/20 0.42
▸ PI4K2B Q8TCG2 8/20 0.42
▸ PI4K2A Q9BTU6 8/20 0.42
▸ PI4KB Q9UBF8 8/20 0.42
▸ XDH P47989 3/20 0.42
▸ LRRK2 Q5S007 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ DRD3 P35462 1/20 0.42
▸ NUDT1 P36639 2/20 0.39
▸ LIMK1 P53667 1/20 0.39
▸ RET P07949 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL48258 0.76 ERAP1 (0.61) ERAP1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL5389075 0.64 ERAP1 (0.46) ERAP1TDP1XDHLMNAALDH1A1
SCHEMBL8663522 0.64 ERAP1 (0.47) ERAP1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL1388223 0.62 TDP1 (1.00) ERAP1TDP1ADORA2AXDHLMNA
SCHEMBL5374927 0.62 ALDH1A1 (0.50) ERAP1TDP1LMNAALDH1A1HPGD
SCHEMBL42314 0.62 ADORA2A (0.66) ERAP1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL1059581 0.61 NUDT1 (0.68) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL6155249 0.60 LIMK1 (0.44) ERAP1ADORA2AADORA1PI4KAPI4K2B
SCHEMBL842440 0.60 ADORA2A (0.61) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL842891 0.60 ADORA2A (0.61) ERAP1ADORA2AADORA1PI4KAPI4K2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023220428-A1 COMPOSITIONS FOR EDITING ASS1 TRANSCRIPTS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-11-16 — — WO disclosed
WO-2023220440-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2023-11-16 — — WO disclosed
US-10729738-B2 Hindered disulfide drug conjugates GENENTECH, INC. (US) 2020-08-04 — — US disclosed
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES GENENTECH INC (US) 2017-04-27 — — US disclosed
US-20080234297-A1 HSP90 Inhibitors Containing a Zinc Binding Moiety CURIS, INC. 2008-09-25 — — US disclosed
US-20080234297-A1 HSP90 Inhibitors Containing a Zinc Binding Moiety CURIS, INC. 2008-09-25 — — US disclosed
US-20080234297-A1 HSP90 Inhibitors Containing a Zinc Binding Moiety CURIS, INC. 2008-09-25 — — US disclosed
WO-2008115262-A2 HSP90 INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-09-25 — — WO disclosed
WO-2008115262-A2 HSP90 INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2008-09-25 — — WO disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 — — US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 — — US disclosed
US-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents CURIS, INC. 2008-09-11 — — US disclosed
EP-1962863-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 Conforma Therapeutics Corporation (US) 2008-09-03 — — EP disclosed
WO-2008033747-A9 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS INC (MA) 2008-07-24 — — WO disclosed
WO-2008033747-A2 MULTI-FUNCTIONAL SMALL MOLECULES AS ANTI-PROLIFERATIVE AGENTS CURIS, INC. (US) 2008-03-20 — — WO disclosed
WO-2007075572-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-05 — — WO disclosed
WO-2007075572-A2 ORALLY ACTIVE PURINE-BASED INHIBITORS OF HEAT SHOCK PROTEIN 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-07-05 — — WO disclosed
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-06-07 — — US disclosed
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 CONFORMA THERAPEUTICS CORPORATION (US) 2007-06-07 — — 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 (5 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-20080221132-A1 Multi-Functional Small Molecules as Anti-Proliferative Agents HDAC1, HDAC6, HDAC5 ERAP1 2191/4885TDP1 1965/4885ADORA2A 4408/4885
US-20080234297-A1 HSP90 Inhibitors Containing a Zinc Binding Moiety HSP90AB1, HSP90AB2P, HSP90B1 ERAP1 436/4885TDP1 1788/4885ADORA2A 4787/4885
US-20070129334-A1 Orally Active Purine-Based Inhibitors of Heat Shock Protein 90 HSP90AB1, HSP90AA1, HSP90AB2P ERAP1 895/4885TDP1 193/4885ADORA2A 116/4885
US-10729738-B2 Hindered disulfide drug conjugates STS, TST, SCLY ERAP1 1496/4885TDP1 4712/4885ADORA2A 3821/4885
US-20170112891-A1 HINDERED DISULFIDE DRUG CONJUGATES STS, TST, SCLY ERAP1 1496/4885TDP1 4712/4885ADORA2A 3821/4885

“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.