SCHEMBL16796830

SCHEMBL16796830

O=c1[nH]cccc1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.45
AURKA O14965 1/20 0.45
AURKB Q96GD4 1/20 0.45
INCENP Q9NQS7 1/20 0.45
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
MCL1 Q07820 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
FKBP5 Q13451 1/20 0.39
HTR2C P28335 6/20 0.38
CALCRL Q16602 1/20 0.38
ALDH1A1 P00352 1/20 0.35
RECQL P46063 1/20 0.35
SMYD3 Q9H7B4 1/20 0.35
KDM4E B2RXH2 2/20 0.35
PDPK1 O15530 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL2040516 0.92 DAO (0.42) DAOAURKAAURKBINCENPPDK2
SCHEMBL31298942 0.90 KDM4E (0.41) DAOAURKAAURKBINCENPMCL1
SCHEMBL18986576 0.90 KDM4E (0.41) DAOAURKAAURKBINCENPMCL1
SCHEMBL2527263 0.88 HTR2C (0.55) HTR2C
SCHEMBL24879971 0.87 DAO (0.42) DAOAURKAAURKBINCENPPDK2
Hydrochloric Acid SCHEMBL20292052 0.87 HTR2C (0.56) HTR2C
SCHEMBL17001657 0.85 HTR1F (0.49) KDM4E
SCHEMBL8666060 0.81 HTR2C (0.43) HTR2C
SCHEMBL9998691 0.80 PDK2 (0.34) DAOAURKAAURKBINCENPPDK2
SCHEMBL2052042 0.79 KDM4E (0.40) DAOAURKAAURKBINCENPNAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250268877-A1 2H-INDAZOLE DERIVATIVES AS IRAK4 INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2025-08-28 US disclosed
WO-2025119351-A1 GPR139 AGONIST 深圳湾实验室 2025-06-12 WO disclosed
CN-119998271-A Pyridone compound and preparation method and application thereof 深圳信立泰药业股份有限公司 2025-05-13 CN disclosed
WO-2025067126-A1 PYRIDONE COMPOUNDS AND PREPARATION METHOD THEREFOR, AND APPLICATION 深圳信立泰药业股份有限公司 2025-04-03 WO disclosed
US-20240116922-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS IRAK4 INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2024-04-11 US disclosed
EP-4267566-A1 2H-INDAZOLE DERIVATIVES AS IRAK4 INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE Biogen MA Inc. (US) 2023-11-01 EP disclosed
CN-116940572-A 2H-indazole derivatives as IRAK4 inhibitors and their use in the treatment of diseases 渤健马萨诸塞州股份有限公司 2023-10-24 CN disclosed
CN-116867781-A Imidazo [1,2-a ] pyridine derivatives as IRAK4 inhibitors and their use in the treatment of diseases 渤健马萨诸塞州股份有限公司 2023-10-10 CN disclosed
WO-2022140425-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS IRAK4 INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. (US) 2022-06-30 WO disclosed
WO-2022140415-A1 2H-INDAZOLE DERIVATIVES AS IRAK4 INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. (US) 2022-06-30 WO disclosed
EP-3080121-B1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-09-04 EP disclosed
US-9932343-B2 Fused tricyclic benzimidazoles derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-04-03 US disclosed
US-20160304523-A1 Fused Tricyclic Benzimidazoles Derivatives As Modulators of TNF Activity SANOFI (FR) 2016-10-20 US disclosed
EP-3080121-A1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SPRL (BE) 2016-10-19 EP disclosed
WO-2015086525-A1 FUSED TRICYCLIC BENZIMIDAZOLES DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2015-06-18 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 (3 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-20250268877-A1 2H-INDAZOLE DERIVATIVES AS IRAK4 INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK3, IRAK2 DAO 3775/4885AURKA 327/4885AURKB 221/4885
US-20160304523-A1 Fused Tricyclic Benzimidazoles Derivatives As Modulators of TNF Activity TNF, TNFRSF1A, TNFRSF9 DAO 2666/4885AURKA 326/4885AURKB 465/4885
US-20240116922-A1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS IRAK4 INHIBITORS AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK1, IRAK2 DAO 3684/4885AURKA 284/4885AURKB 364/4885

“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.