Sugi Predict

Sugi Predict / Compounds / SCHEMBL4245629

SCHEMBL4245629

SCHEMBL4245629

O=C(O)OCc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.61
▸ LMNA P02545 2/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ NAPRT Q6XQN6 1/20 0.59
▸ CYP17A1 P05093 1/20 0.56
▸ CYP19A1 P11511 1/20 0.56
▸ NAMPT P43490 1/20 0.53
▸ ALDH1A1 P00352 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ TBXAS1 P24557 8/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ CYP3A4 P08684 1/20 0.49

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
SCHEMBL28711108 0.87 KMT2A (0.58) KMT2ALMNATDP1NAPRTCYP17A1
SCHEMBL4245622 0.87 KMT2A (0.58) KMT2ALMNATDP1NAPRTCYP17A1
SCHEMBL28711109 0.86 KMT2A (0.58) KMT2ALMNATDP1NAPRTCYP17A1
SCHEMBL2576897 0.85 CYP19A1 (0.48) KMT2ALMNATDP1NAPRTCYP17A1
SCHEMBL12230963 0.85 KMT2A (0.57) KMT2ALMNATDP1NAPRTCYP17A1
SCHEMBL4667872 0.84 KMT2A (0.55) KMT2ALMNATDP1NAPRTCYP17A1
SCHEMBL445196 0.84 ALDH1A1 (0.61) KMT2ALMNATDP1NAPRTCYP17A1
SCHEMBL2519199 0.84 ALDH1A1 (0.61) KMT2ALMNATDP1NAPRTCYP17A1
SCHEMBL537263 0.84 RECQL (0.56) KMT2ALMNATDP1NAPRTCYP17A1
Pyridine SCHEMBL28200478 0.83 LMNA (0.58) KMT2ALMNATDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114539062-A Nicotine carbonate, synthetic method thereof and application thereof in cigarette preparation 安徽中烟工业有限责任公司 2022-05-27 — — CN claimed
EP-2499120-A1 NOVEL 1,3-OXAZOLIDINE COMPOUNDS AND THEIR USE AS RENIN INHIBITORS Novadex Pharmaceuticals AB (SE) 2012-09-19 — — EP claimed
US-11945806-B2 Stabilization of amyloidogenic immunoglobulin light chains THE SCRIPPS RESEARCH INSTITUTE 2024-04-02 — — US disclosed
US-20220204485-A1 STABILIZATION OF AMYLOIDOGENIC IMMUNOGLOBULIN LIGHT CHAINS THE SCRIPPS RESEARCH INSTITUTE 2022-06-30 — — US disclosed
CN-114539062-A Nicotine carbonate, synthetic method thereof and application thereof in cigarette preparation 安徽中烟工业有限责任公司 2022-05-27 — — CN disclosed
CN-114127050-A Benzopyran and imidazole derivatives useful for stabilizing amyloidogenic immunoglobulin light chains 斯克利普斯研究所 2022-03-01 — — CN disclosed
CN-113226356-A Activating pyruvate kinase R 福马治疗股份有限公司 2021-08-06 — — CN disclosed
US-10364263-B2 Cyclic phosphates and cyclic phosphoramidates for the treatment of neurologic disorders Retrophin, Inc. (US) 2019-07-30 — — US disclosed
US-20180362564-A1 CYCLIC PHOSPHATES AND CYCLIC PHOSPHORAMIDATES FOR THE TREATMENT OF NEUROLOGIC DISORDERS Retrophin, Inc. 2018-12-20 — — US disclosed
EP-3386995-A1 CYCLIC PHOSPHATES AND CYCLIC PHOSPHORAMIDATES FOR THE TREATMENT OF NEUROLOGIC DISORDERS Retrophin, Inc. (US) 2018-10-17 — — EP disclosed
CN-107383024-B The class compound of fused tricyclic containing imidazoles and its application 广州必贝特医药技术有限公司 2018-06-08 — — CN disclosed
EP-1114052-B1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBOTT GMBH & CO KG (DE) 2005-11-16 — — EP disclosed
US-6713474-B2 SERINE-THREONINE AND TYROSINE KINASE INHIBITORS ABBOTT GMBH & CO. KG (DE) 2004-03-30 — — US disclosed
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-10-02 — — US disclosed
US-20030153752-A1 Pyrrolopyrimidines as therapeutic agents ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2003-08-14 — — US disclosed
WO-2001072751-A1 PYRROLOPYRIMIDINES AS TYROSINE KINASE INHIBITORS KNOLL GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2001-10-04 — — WO disclosed
EP-1114053-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 — — EP disclosed
EP-1114052-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-07-11 — — EP disclosed
WO-2000017203-A1 PYRROLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 — — WO disclosed
WO-2000017202-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-03-30 — — 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 (6 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-20030153752-A1 Pyrrolopyrimidines as therapeutic agents FLT1, FLT4, TFPI KMT2A 2637/4885LMNA 4657/4885TDP1 174/4885
US-20180362564-A1 CYCLIC PHOSPHATES AND CYCLIC PHOSPHORAMIDATES FOR THE TREATMENT OF NEUROLOGIC DISORDERS PPA1, PRPS1, PYGB KMT2A 3665/4885LMNA 1453/4885TDP1 87/4885
US-20220204485-A1 STABILIZATION OF AMYLOIDOGENIC IMMUNOGLOBULIN LIGHT CHAINS TTR, MAP1LC3B, SAAL1 KMT2A 4134/4885LMNA 478/4885TDP1 3557/4885
US-20030187001-A1 4-AMINOPYRROLOPYRIMIDINES AS KINASE INHIBITORS LCK, PPP5C, DUSP1 KMT2A 3216/4885LMNA 4880/4885TDP1 186/4885
US-10364263-B2 Cyclic phosphates and cyclic phosphoramidates for the treatment of neurologic disorders PPA1, PRPS1, PYGB KMT2A 3665/4885LMNA 1453/4885TDP1 87/4885
US-11945806-B2 Stabilization of amyloidogenic immunoglobulin light chains TTR, MAP1LC3B, SAAL1 KMT2A 4134/4885LMNA 478/4885TDP1 3557/4885

“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.