SCHEMBL30099645

SCHEMBL30099645

O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 18/20 1.00
MARK3 P27448 4/20 1.00
IKBKE Q14164 3/20 1.00
MARK4 Q96L34 3/20 1.00
STK17A Q9UEE5 3/20 1.00
ULK1 O75385 2/20 1.00
ULK2 Q8IYT8 2/20 1.00
NUAK1 O60285 1/20 1.00
PRKAA2 P54646 1/20 1.00
SIK1 P57059 1/20 1.00
PRKAA1 Q13131 1/20 1.00
MELK Q14680 1/20 1.00
PDK1 Q15118 1/20 1.00
MARK2 Q7KZI7 1/20 1.00
NUAK2 Q9H093 1/20 1.00
SIK2 Q9H0K1 1/20 1.00
MARK1 Q9P0L2 1/20 1.00
SIK3 Q9Y2K2 1/20 1.00
CDK2 P24941 1/20 0.72
BRSK2 Q8IWQ3 1/20 0.72

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
SCHEMBL29464028 1.00 TBK1 (1.00) TBK1MARK3IKBKEMARK4STK17A
SCHEMBL13431845 1.00 TBK1 (1.00) TBK1MARK3IKBKEMARK4STK17A
Hydrochloric Acid SCHEMBL30503011 0.99 TBK1 (0.98) TBK1MARK3IKBKEMARK4STK17A
Hydrochloric Acid SCHEMBL26091529 0.99 TBK1 (0.98) TBK1MARK3IKBKEMARK4STK17A
Hydrochloric Acid SCHEMBL30409158 0.99 TBK1 (0.98) TBK1MARK3IKBKEMARK4STK17A
SCHEMBL13431885 0.94 TBK1 (0.88) TBK1MARK3IKBKEMARK4STK17A
SCHEMBL13431884 0.93 TBK1 (0.87) TBK1MARK3IKBKEMARK4STK17A
SCHEMBL13431871 0.91 TBK1 (0.84) TBK1MARK3IKBKEMARK4STK17A
SCHEMBL13431886 0.90 TBK1 (0.81) TBK1MARK3IKBKEMARK4STK17A
SCHEMBL13431797 0.88 TBK1 (1.00) TBK1MARK3IKBKEMARK4STK17A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4662319-A2 PERSONALIZED CRISPR PROFILING FOR CANCER Integrate Bioscience LLC (US) 2025-12-17 EP disclosed
US-20250313862-A1 INHIBITION OF GENOTOXIC STRESS TO IMPROVE T CELL ENGINEERING GENENTECH INC (US) 2025-10-09 US disclosed
US-20250283110-A1 METHODS AND COMPOSITIONS FOR TRANSDUCTION OF NK CELLS ST JUDE CHILDRENS RES HOSPITAL INC (US) 2025-09-11 US disclosed
WO-2024168301-A2 PERSONALIZED CRISPR PROFILING FOR CANCER FUNCTION ONCOLOGY, INC. (US) 2024-08-15 WO disclosed
WO-2023178276-A1 TREATMENT OF PANCREATIC DUCTAL ADENOCARCINOMA WITH MIRDAMETINIB SpringWorks Therapeutics Inc. (US) 2023-09-21 WO disclosed
WO-2022251584-A1 METHODS AND COMPOSITIONS FOR TRANSDUCTION OF NK CELLS ST. JUDE CHILDREN'S RESEARCH HOSPITAL, INC. (US) 2022-12-01 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 (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-20250313862-A1 INHIBITION OF GENOTOXIC STRESS TO IMPROVE T CELL ENGINEERING STING1, CGAS, NFATC1 TBK1 38/4885MARK3 4387/4885IKBKE 181/4885

“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.