SCHEMBL5772040

SCHEMBL5772040

CC1(C(=O)N2CCOCC2)COC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)OC1.CS(=O)(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 10/20 1.00
MAPK12 P53778 10/20 1.00
MAPK11 Q15759 10/20 1.00
MAPK14 Q16539 10/20 1.00
CSNK1A1 P48729 1/20 0.46
CSNK1D P48730 1/20 0.46
RPS6KA3 P51812 1/20 0.46
RAF1 P04049 2/20 0.45
MAPK9 P45984 2/20 0.45
SOAT1 P35610 1/20 0.44
ALOX5 P09917 1/20 0.43

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
SCHEMBL29437788 1.00 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL20555598 0.96 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5770288 0.96 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL18797648 0.96 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14CSNK1A1
Hydrochloric Acid SCHEMBL5768856 0.94 MAPK13 (0.97) MAPK13MAPK12MAPK11MAPK14CSNK1A1
Bromide SCHEMBL5770111 0.94 MAPK13 (0.97) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5767876 0.89 MAPK13 (0.87) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5770557 0.88 MAPK13 (0.85) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5771142 0.88 MAPK13 (0.84) MAPK13MAPK12MAPK11MAPK14CSNK1A1
SCHEMBL5772600 0.87 MAPK11 (0.82) MAPK13MAPK12MAPK11MAPK14CSNK1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4717765-A1 METHOD FOR PRODUCING CELL POPULATION CONTAINING CD4 SINGLE POSITIVE HELPER T CELLS FROM PLURIPOTENT STEM CELLS Kyoto University (JP) 2026-04-01 EP disclosed
EP-3445369-B1 VX-745 FOR USE IN THE TREATMENT OF DEMENTIA EIP PHARMA LLC (US) 2026-03-25 EP disclosed
US-20250333470-A1 METHOD FOR PRODUCING GAMMA DELTA T CELLS UNIV KYOTO (JP) 2025-10-30 US disclosed
US-12391739-B2 Method for producing gamma delta T cells KYOTO UNIVERSITY (JP) 2025-08-19 US disclosed
EP-4596685-A1 IMMUNE CELL INDUCED FROM IPS CELL Kyoto University (JP) 2025-08-06 EP disclosed
US-12351824-B2 Method for producing natural killer cells from pluripotent stem cells TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-07-08 US disclosed
US-20250177524-A1 CELL BANK COMPOSED OF IPS CELLS FOR INTRODUCING T CELL RECEPTOR GENE Thyas Co. Ltd. (JP) 2025-06-05 US disclosed
CN-119709615-A Method for producing CD3 positive cells 国立大学法人京都大学 2025-03-28 CN disclosed
CN-112567025-B Method for producing CD3 positive cells 国立大学法人京都大学 2025-01-17 CN disclosed
WO-2024242080-A1 METHOD FOR PRODUCING CELL POPULATION CONTAINING CD4 SINGLE POSITIVE HELPER T CELLS FROM PLURIPOTENT STEM CELLS 国立大学法人京都大学 2024-11-28 WO disclosed
CN-114010641-A Methods for treating neurological disorders 爱普制药有限责任公司 2022-02-08 CN disclosed
WO-2021086912-A1 COMBINED PIKFYVE AND P38 MAP KINASE INHIBITION FOR TREATING CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2021-05-06 WO disclosed
EP-3024926-B1 GENERATING DEFINITIVE ENDODERM AND PANCREATIC PROGENITOR CELLS THE J DAVID GLADSTONE INST A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J DAVID GLADSTONE (US) 2021-03-03 EP disclosed
WO-2018140791-A1 METHODS OF ENHANCING ENGRAFTMENT ACTIVITY OF HEMATOPOIETIC STEM CELLS CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2018-08-02 WO disclosed
EP-3024926-A1 GENERATING DEFINITIVE ENDODERM AND PANCREATIC PROGENITOR CELLS The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-06-01 EP disclosed
WO-2015013653-A1 GENERATING DEFINITIVE ENDODERM AND PANCREATIC PROGENITOR CELLS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-01-29 WO disclosed
EP-0988301-B1 IMIDAZOLYL-CYCLIC ACETALS AVENTIS PHARMA LTD (GB) 2006-08-09 EP disclosed
US-6989395-B2 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2006-01-24 US disclosed
US-20040038991-A1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2004-02-26 US disclosed
US-6602877-B1 Imidazolyl-cyclic acetals AVENTIS PHARMA LIMITED (GB) 2003-08-05 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 (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-20040038991-A1 Imidazolyl-cyclic acetals CBR1, LBR, CBR3 MAPK13 1610/4885MAPK12 2766/4885MAPK11 1125/4885

“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.