Sugi Predict

Sugi Predict / Compounds / SCHEMBL82579

SCHEMBL82579

SCHEMBL82579

COc1c(OC(C)=O)ccc(C=O)c1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.60
▸ KMT2A Q03164 9/20 0.60
▸ MAPT P10636 8/20 0.60
▸ ALDH1A1 P00352 5/20 0.60
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ NPC1 O15118 4/20 0.60
▸ RAB9A P51151 4/20 0.60
▸ GAA P10253 4/20 0.60
▸ LMNA P02545 3/20 0.60
▸ HTT P42858 3/20 0.60
▸ POLB P06746 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ CYP3A4 P08684 3/20 0.45
▸ TDP1 Q9NUW8 3/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2D6 P10635 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ RECQL P46063 2/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL29456226 1.00 MEN1 (0.60) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL16097099 0.85 KMT2A (0.60) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL622372 0.85 KMT2A (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL30105929 0.85 KMT2A (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL12362295 0.83 MEN1 (0.43) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL14419947 0.81 POLB (0.51) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL6901102 0.81 ABCG2 (0.46) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL4316505 0.80 PTGDR2 (0.47) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL27869238 0.80 SMN1; SMN2 (0.43) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL10958150 0.79 MEN1 (0.46) MEN1KMT2AMAPTALDH1A1SMN1; SMN2

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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117186001-A AHA1 inhibitor with multiple myeloma-resisting activity and preparation method and application thereof 南京中医药大学 2023-12-08 — — CN disclosed
CN-115724847-A 2, 3-dihydroimidazo [1,2-c ] quinazoline substituted derivatives 拜耳知识产权有限责任公司 2023-03-03 — — CN disclosed
EP-2638045-B1 AMINOALCOHOL SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER IP GMBH (DE) 2022-08-31 — — EP disclosed
EP-2638045-B1 AMINOALCOHOL SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER IP GMBH (DE) 2022-08-31 — — EP disclosed
CN-108774232-B 2, 3-dihydroimidazo [1,2-c ] quinazoline substituted derivatives 拜耳知识产权有限责任公司 2022-08-09 — — CN disclosed
CN-105254634-B 2, 3-dihydroimidazo [1,2-c ] quinazoline substituted derivatives useful in the treatment of hyperproliferative diseases and angiogenesis-related diseases 拜耳知识产权有限责任公司 2022-05-27 — — CN disclosed
EP-3971191-A1 BORON-CONTAINING SMALL MOLECULES Bill And Melinda Gates Foundation (US) 2022-03-23 — — EP disclosed
CN-113563368-A Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-10-29 — — CN disclosed
CN-113321672-A Boron-containing small molecules 比尔及梅琳达盖茨基金会 2021-08-31 — — CN disclosed
EP-3423065-B1 BORON-CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS INC (US) 2021-07-21 — — EP disclosed
EP-2042504-A1 Fused azole-pyrimidine derivatives Bayer HealthCare AG (DE) 2009-04-01 — — EP disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 — — US disclosed
US-7511041-B2 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2009-03-31 — — US disclosed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 — — EP disclosed
EP-1549652-B1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER HEALTHCARE AG (DE) 2008-10-22 — — EP disclosed
WO-2008070150-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-12 — — WO disclosed
WO-2008070150-A1 SUBSTITUTED 2,3-DIHYDROIMIDAZO[1,2-C]QUINAZOLINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-12 — — WO disclosed
US-20060128732-A1 Fused azole-pyrimidine derivatives BAYER PHARMACEUTICALS CORPORATION (US) 2006-06-15 — — US disclosed
EP-1549652-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES Bayer Pharmaceuticals Corporation (US) 2005-07-06 — — EP disclosed
WO-2004029055-A1 FUSED AZOLE-PYRIMIDINE DERIVATIVES BAYER PHARMACEUTICALS CORPORATION (US) 2004-04-08 — — 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-20060128732-A1 Fused azole-pyrimidine derivatives PIK3CA, PIK3CD, PIK3CG MEN1 3009/4885KMT2A 4190/4885MAPT 1939/4885

“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.