SCHEMBL2693281

SCHEMBL2693281

Cn1ccc2cc(B(O)OC(C)(C)C(C)(C)O)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.41
CYP2A6 P11509 1/20 0.39
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36
ABL1 P00519 1/20 0.34
SRC P12931 1/20 0.34
MAOB P27338 2/20 0.33

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
SCHEMBL12538927 0.89 CYP2A6 (0.39) PRKCICYP2A6CHRNA7MAPT
SCHEMBL595107 0.80 PIK3CD (0.40) TUBB1ABL1SRCPIK3CB
SCHEMBL15476443 0.79 TUBB4A (0.32) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL15940278 0.77 KIF11 (0.33) KDM4EMAPTLMNA
SCHEMBL517925 0.76 CA1 (0.50) CYP2A6KDM4ECYP1A2TDP1
SCHEMBL1128777 0.75 ESR1 (0.36) ABL1MEN1CYP1A2CYP3A4CYP2D6
SCHEMBL16633327 0.74 PRKCI (0.55) PRKCICYP2A6TUBB4ATUBBTUBA3C
SCHEMBL310439 0.74 PRKCI (0.55) PRKCICYP2A6TUBB4ATUBBTUBA3C
SCHEMBL29636281 0.74 PRKCI (0.55) PRKCICYP2A6TUBB4ATUBBTUBA3C
SCHEMBL18706031 0.74 KDM4E (0.39) MAOBNOTUMKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119528901-B Thiazole compound, dessumo and/or deubiquitinase inhibitor, and preparation methods and applications thereof Shanghai tongji hospital (CN) 2026-05-26 CN disclosed
CN-119528901-A Thiazole compound, dessumo and/or deubiquitinase inhibitor, and preparation methods and applications thereof 上海市同济医院 2025-02-28 CN disclosed
CN-117105936-B Imidazo [1,2-a ] pyridine compound serving as FLT3 inhibitor, and preparation method and application thereof 遵义医科大学 2025-01-24 CN disclosed
CN-117164498-A Method for synthesizing cyclic monoterpene indole compound 苏州大学 2023-12-05 CN disclosed
CN-117105936-A Imidazo [1,2-a ] pyridine compound serving as FLT3 inhibitor, and preparation method and application thereof 遵义医科大学 2023-11-24 CN disclosed
CN-116444479-A Preparation method of high optical purity L-lactide 扬州大学 2023-07-18 CN disclosed
CN-113264937-B 4-aminopyrazolo [3,4-d ] pyrimidine derivative and application thereof 南开大学 2022-11-29 CN disclosed
US-20220227751-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. GALAPAGOS NV (BE) 2022-07-21 US disclosed
EP-4019519-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS Galapagos N.V. (BE) 2022-06-29 EP disclosed
EP-3378862-B1 DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF MULTIPLE SCLEROSIS GALAPAGOS NV (BE) 2022-03-16 EP disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
US-20120302524-A1 1,3,4-OXADIAZOLE-2-CARBOXAMIDE COMPOUND GENERAL INCORPORATED ASSOCIATION PHARMA VALLEY PROJECT SUPPORTING ORGANIZATION (JP) 2012-11-29 US disclosed
EP-2520575-A1 1,3,4-OXADIAZOLE-2-CARBOXAMIDE COMPOUND General Incorporated Association Pharma Valley Project Supporting Organization (JP) 2012-11-07 EP disclosed
WO-2012112962-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2012-08-23 WO disclosed
WO-2012112963-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2012-08-23 WO disclosed
EP-2452940-A1 AZABICYCLO COMPOUND AND SALT THEREOF Taiho Pharmaceutical Co., Ltd. (JP) 2012-05-16 EP disclosed
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2012-05-03 US disclosed
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-30 US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 US disclosed
WO-2010036613-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-04-01 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-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 PRKCI 2492/4885CYP2A6 1294/4885TUBB4A 1391/4885
US-20120302524-A1 1,3,4-OXADIAZOLE-2-CARBOXAMIDE COMPOUND STAT3, JAK2, STAT5A PRKCI 2767/4885CYP2A6 2844/4885TUBB4A 846/4885
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 PRKCI 20/4885CYP2A6 3116/4885TUBB4A 1278/4885
US-20120108589-A1 AZABICYCLO COMPOUND AND SALT THEREOF HSP90AB1, HSP90AB2P, HSP90AA1 PRKCI 2800/4885CYP2A6 3058/4885TUBB4A 36/4885
US-20220227751-A1 NOVEL DIHYDROPYRIMIDINOISOQUINOLINONES AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS. GPR84, GPR88, GPR65 PRKCI 1434/4885CYP2A6 2113/4885TUBB4A 3158/4885
US-20100331293-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PRKCI 39/4885CYP2A6 2815/4885TUBB4A 2041/4885

“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.