SCHEMBL3964511

SCHEMBL3964511

Cc1cnc(NCCC2CCNCC2)nc1-c1cc2ccc(C(=O)N3CCOCC3)cc2s1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 13/20 0.46
FLT3 P36888 1/20 0.40
DYRK2 Q92630 2/20 0.39
ABL1 P00519 1/20 0.38
EIF4E P06730 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
TYRO3 Q06418 1/20 0.37
ALK Q9UM73 1/20 0.37

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 SCHEMBL3967145 0.91 LRRK2 (0.46) LRRK2ABL1EIF4EMKNK1MKNK2
Hydrochloric Acid SCHEMBL4084919 0.87 LRRK2 (0.42) LRRK2FLT3ABL1TYRO3
Hydrochloric Acid SCHEMBL3970078 0.86 DYRK2 (0.41) LRRK2DYRK2EIF4EMKNK1MKNK2
SCHEMBL3965425 0.85 BRD4 (0.40) FLT3TYRO3
Hydrochloric Acid SCHEMBL3965506 0.84 BRD4 (0.39) FLT3DYRK2TYRO3
SCHEMBL3961531 0.84 BRD4 (0.38) DYRK2
Hydrochloric Acid SCHEMBL3971783 0.81 TYRO3 (0.40) LRRK2DYRK2EIF4EMKNK1MKNK2
Hydrochloric Acid SCHEMBL3965791 0.81 DYRK2 (0.43) LRRK2DYRK2EIF4EMKNK1MKNK2
Hydrochloric Acid SCHEMBL3966573 0.80 BRD4 (0.38) FLT3DYRK2TYRO3
Hydrochloric Acid SCHEMBL3964563 0.79 ACP1 (0.37) FLT3DYRK2TYRO3

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 LRRK2 868/4885FLT3 706/4885DYRK2 2098/4885

“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.