Sugi Predict

Sugi Predict / Compounds / SCHEMBL3088381

SCHEMBL3088381

SCHEMBL3088381

Nc1nc(C(=O)O)c2ccccc2n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 6/20 0.66
▸ HSP90AA1 P07900 2/20 0.60
▸ HSP90AB1 P08238 2/20 0.60
▸ ALDH1A1 P00352 3/20 0.58
▸ HSD17B10 Q99714 3/20 0.58
▸ NUDT1 P36639 2/20 0.58
▸ HPGD P15428 2/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ DCPS Q96C86 1/20 0.57
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MAPT P10636 1/20 0.55
▸ ADORA2A P29274 4/20 0.52
▸ TP53 P04637 1/20 0.49
▸ ADORA2B P29275 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ PDE10A Q9Y233 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ CHRM2 P08172 1/20 0.47
▸ ADRA2A P08913 1/20 0.47

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
SCHEMBL561316 0.87 ADORA3 (0.64) ADORA3HSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL3075153 0.81 ADORA3 (0.57) ADORA3HSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL28226802 0.81 ADORA3 (0.57) ADORA3HSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL3075260 0.81 ADORA3 (0.70) ADORA3HSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL28293697 0.81 ADORA3 (0.61) ADORA3HSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL28357731 0.81 ADORA3 (0.57) ADORA3HSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL31061422 0.80 ADORA3 (1.00) ADORA3HSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL3086622 0.80 ADORA3 (1.00) ADORA3HSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL27668228 0.79 ADORA3 (0.58) ADORA3HSP90AA1HSP90AB1ALDH1A1HSD17B10
SCHEMBL9202412 0.78 SMN1; SMN2 (0.57) ADORA3ALDH1A1SMN1; SMN2MAPTPDE10A

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
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 — — EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 — — EP disclosed
CN-108699038-B Spirocyclic heptane salicylamides and related compounds as Rock inhibitors 百时美施贵宝公司 2021-04-16 — — CN disclosed
US-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-10 — — US disclosed
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2020-04-30 — — US disclosed
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-07 — — US disclosed
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2019-01-17 — — US disclosed
EP-3402790-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2018-11-21 — — EP disclosed
WO-2017123860-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-20 — — WO disclosed
EP-2164833-B1 Quinazolinamide derivatives useful for the treatment of tumour diseases MERCK PATENT GMBH (DE) 2015-04-15 — — EP disclosed
CN-101743229-B Quinazolinamide derivatives MERCK PATENT GMBH 2013-08-14 — — CN disclosed
US-8501754-B2 Quinazolinamide derivatives MERCK PATENT GMBH (DE) 2013-08-06 — — US disclosed
US-20100234324-A1 Quinazolinamide derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-16 — — US disclosed
CN-101743229-A quinazolinamide derivatives MERCK PATENT GMBH 2010-06-16 — — CN disclosed
EP-2164833-A2 QUINAZOLINAMIDE DERIVATIVES Merck Patent GmbH (DE) 2010-03-24 — — EP disclosed
WO-2009010139-A2 QUINAZOLINAMIDE DERIVATIVES MERCK PATENT GMBH (DE) 2009-01-22 — — WO disclosed
EP-0581500-B1 Antibiotic carbapenem compounds ZENECA LTD (GB) 1998-09-09 — — EP disclosed
US-5441949-A Carbapenem antibiotic compounds ZENECA LIMITED (GB) 1995-08-15 — — US disclosed
EP-0581500-A1 Antibiotic carbapenem compounds ZENECA LIMITED (GB) 1994-02-02 — — EP 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-10829501-B2 Spiroheptane salicylamides and related compounds as inhibitors of ROCK ROCK1, MYLK, RHOA ADORA3 1864/4885HSP90AA1 1212/4885HSP90AB1 1298/4885
US-20190016735-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA ADORA3 1887/4885HSP90AA1 1246/4885HSP90AB1 1335/4885
US-10611776-B2 Spiroheptane salicylamides and related compounds as inhibitors of rock ROCK1, MYLK, RHOA ADORA3 1887/4885HSP90AA1 1246/4885HSP90AB1 1335/4885
US-20100234324-A1 Quinazolinamide derivatives HSP90AB1, HSP90AA1, HSP90AB2P ADORA3 3301/4885HSP90AA1 2/4885HSP90AB1 1/4885
US-20200131200-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK ROCK1, MYLK, RHOA ADORA3 1864/4885HSP90AA1 1212/4885HSP90AB1 1298/4885

“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.