SCHEMBL29504155

SCHEMBL29504155

CCC(=O)Nc1ccc(Sc2nc(Nc3cc(C)[nH]n3)cc(N3CCN(C)CC3)n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 14/20 1.00
AURKA O14965 14/20 1.00
ABL1 P00519 2/20 1.00
BCR P11274 2/20 1.00
EGFR P00533 2/20 0.80
PLK4 O00444 2/20 0.80
AURKC Q9UQB9 2/20 0.80
NTRK1 P04629 2/20 0.80
BMPR1B O00238 1/20 0.80
STK25 O00506 1/20 0.80
RIOK3 O14730 1/20 0.80
CHEK1 O14757 1/20 0.80
GAK O14976 1/20 0.80
MUSK O15146 1/20 0.80
EPHB6 O15197 1/20 0.80
PDPK1 O15530 1/20 0.80
MAP3K13 O43283 1/20 0.80
DAPK3 O43293 1/20 0.80
MAP3K7 O43318 1/20 0.80
NUAK1 O60285 1/20 0.80

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
SCHEMBL12430853 1.00 AURKB (1.00) AURKBAURKAABL1BCREGFR
SCHEMBL13004577 0.93 AURKB (1.00) AURKBAURKAABL1BCREGFR
SCHEMBL13299440 0.91 AURKB (0.86) AURKBAURKAABL1BCREGFR
Tozasertib SCHEMBL2682989 0.89 AURKA (1.00) AURKBAURKAABL1BCREGFR
SCHEMBL13004576 0.88 AURKB (0.81) AURKBAURKAABL1BCREGFR
SCHEMBL1080455 0.87 AURKB (0.78) AURKBAURKAABL1BCREGFR
SCHEMBL13299437 0.87 AURKB (0.81) AURKBAURKAABL1BCREGFR
SCHEMBL12430847 0.87 AURKB (0.77) AURKBAURKAABL1BCREGFR
SCHEMBL10294985 0.86 AURKB (0.75) AURKBAURKAABL1BCREGFR
SCHEMBL20805507 0.86 AURKA (0.80) AURKBAURKAABL1BCREGFR

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
US-20240307373-A1 METHODS OF USE AND COMPOSITIONS OF BISBENZYLISOQUINOLINES FOR THE TREATMENT OF MALIGNANCIES Escend Pharmaceuticals, Inc. 2024-09-19 US claimed
US-12590162-B2 Cancer treatment VANDA PHARMACEUTICALS INC. (US) 2026-03-31 US disclosed
US-12427149-B2 Methods and compositions for the prevention and treatment of hearing loss Ting Theropeutics, Inc. (US) 2025-09-30 US disclosed
US-20250161287-A1 METHODS, COMPOSITIONS, AND COMBINATIONS FOR PREVENTING OR TREATING CANCER RECURRENCE VUJA DE SCIENCES INC (US) 2025-05-22 US disclosed
US-20250127786-A1 Compositions and Methods for the Prevention and Treatment of Hearing Loss TING THERAPEUTICS, INC. (US) 2025-04-24 US disclosed
EP-4479745-A2 METHODS, COMPOSITIONS, AND COMBINATIONS FOR PREVENTING OR TREATING CANCER RECURRENCE Vuja de Sciences, Inc. (US) 2024-12-25 EP disclosed
WO-2024230647-A1 HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 苏州信诺维医药科技股份有限公司 2024-11-14 WO disclosed
CN-118767143-A Compositions and methods for preventing and treating hearing loss 听治疗有限责任公司 2024-10-15 CN disclosed
US-20240327835-A1 METHODS FOR REACTIVATING GENES ON THE INACTIVE X CHROMOSOME THE GENERAL HOSPITAL CORPORATION 2024-10-03 US disclosed
US-20240317711-A1 AURKA SELECTIVE DEGRADATION INDUCING COMPOUND UPPTHERA INC. (KR) 2024-09-26 US disclosed
US-20230257471-A1 CANCER TREATMENT VANDA PHARMACEUTICALS INC. 2023-08-17 US disclosed
US-11667718-B2 Cancer treatment VANDA PHARMACEUTICALS INC. (US) 2023-06-06 US disclosed
US-20230020545-A1 METHODS FOR REACTIVATING GENES ON THE INACTIVE X CHROMOSOME THE GENERAL HOSPITAL CORPORATION 2023-01-19 US disclosed
WO-2022270987-A1 AURKA SELECTIVE DEGRADATION INDUCING COMPOUND (주) 업테라 2022-12-29 WO disclosed
US-11499197-B2 Prognosis method of multiple myeloma CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-11-15 US disclosed
EP-4073102-A2 COMPOSITIONS AND METHODS FOR THE PREVENTION AND TREATMENT OF HEARING LOSS Ting Therapeutics LLC (US) 2022-10-19 EP disclosed
US-11433073-B2 Compositions and methods for the prevention and treatment of hearing loss TING THERAPEUTICS LLC (US) 2022-09-06 US disclosed
CN-114981298-A Compositions and methods for preventing and treating hearing loss 听治疗有限责任公司 2022-08-30 CN disclosed
US-20220265660-A1 METHODS AND COMPOSITIONS FOR THE PREVENTION AND TREATMENT OF HEARING LOSS TING THERAPEUTICS LLC (US) 2022-08-25 US disclosed
US-20220133730-A1 Compositions and Methods for the Prevention and Treatment of Hearing Loss TING THERAPEUTICS LLC (US) 2022-05-05 US 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-11667718-B2 Cancer treatment HDAC5, TERT, HDAC10 AURKB 610/4885AURKA 128/4885ABL1 142/4885
US-12590162-B2 Cancer treatment AURKA, HDAC4, HDAC5 AURKB 8/4885AURKA 1/4885ABL1 1179/4885
US-20240307373-A1 METHODS OF USE AND COMPOSITIONS OF BISBENZYLISOQUINOLINES FOR THE TREATMENT OF MALIGNANCIES MCL1, MYD88, BCL6B AURKB 295/4885AURKA 3165/4885ABL1 6/4885
US-20230257471-A1 CANCER TREATMENT HDAC5, TERT, HDAC10 AURKB 610/4885AURKA 128/4885ABL1 142/4885
US-20240317711-A1 AURKA SELECTIVE DEGRADATION INDUCING COMPOUND STUB1, AURKA, XIAP AURKB 7/4885AURKA 2/4885ABL1 2777/4885

“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.