Sugi Predict

Sugi Predict / Compounds / SCHEMBL3969558

SCHEMBL3969558

SCHEMBL3969558

NC(=O)N1CCC(CCCNc2ncc(Cl)c(-c3cc4c(C(=O)NC5CC5)cccc4s3)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYRO3 Q06418 6/20 0.36
▸ FLT3 P36888 4/20 0.36
▸ MERTK Q12866 4/20 0.36
▸ GAS6 Q14393 4/20 0.36
▸ AXL P30530 2/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ DRD3 P35462 4/20 0.35
▸ FGFR1 P11362 3/20 0.35
▸ EGFR P00533 2/20 0.35
▸ SELP P16109 2/20 0.35
▸ CHEK1 O14757 1/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ CHEK2 O96017 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ INSR P06213 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.35
▸ CCNA2 P20248 1/20 0.35

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
Hydrochloric Acid SCHEMBL3964507 0.91 TYRO3 (0.43) TYRO3FLT3MERTKGAS6AXL
SCHEMBL3963412 0.90 TYRO3 (0.37) TYRO3FLT3MERTKGAS6AXL
Hydrochloric Acid SCHEMBL3964030 0.90 TYRO3 (0.41) TYRO3FLT3MERTKGAS6AXL
Hydrochloric Acid SCHEMBL3964518 0.89 FLT3 (0.44) TYRO3FLT3MERTKGAS6AXL
Hydrochloric Acid SCHEMBL3961885 0.89 FLT3 (0.41) TYRO3FLT3MERTKGAS6AXL
Hydrochloric Acid SCHEMBL3970787 0.89 FGFR1 (0.43) TYRO3FLT3MERTKGAS6AXL
Hydrochloric Acid SCHEMBL3967170 0.89 FLT3 (0.45) TYRO3FLT3MERTKGAS6AXL
SCHEMBL3964106 0.88 TYRO3 (0.41) TYRO3FLT3MERTKGAS6AXL
Hydrochloric Acid SCHEMBL3965521 0.87 TYRO3 (0.41) TYRO3FLT3MERTKGAS6AXL
Hydrochloric Acid SCHEMBL3961888 0.87 FLT3 (0.45) TYRO3FLT3MERTKGAS6AXL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989200-B1 [4-(BENZO[B]THIOPHEN-2-YL)-PYRIMIDIN-2-YL]-AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES LILLY CO ELI (US) 2009-07-29 — — EP disclosed
US-7547691-B2 [4-(Benzo[B]thiophen-2-yl) Pyrimidin-2-yl]-amine derivatives as IKK-beta inhibitors for the treatment of cancer and inflammatory diseases ELI LILLY AND COMPANY (US) 2009-06-16 — — US disclosed
US-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases ELI LILLY AND COMPANY 2008-12-11 — — 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-20080306082-A1 [4-(Benzo[B]Thiophen-2-Yl) Pyrimidin-2-Yl]-Amine Derivatives As Ikk-Beta Inhibitors For The Treatment Of Cancer And Inflammatory Diseases NFKBIA, IKBKB, IKBKG TYRO3 456/4885FLT3 706/4885MERTK 802/4885

“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.