SCHEMBL3961604

SCHEMBL3961604

C[C@@H]1CNC[C@H](C)N1CCCNc1ncc(Cl)c(-c2cc3c(C(=O)NC4CC4)cccc3s2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.38
TYRO3 Q06418 14/20 0.38
MERTK Q12866 11/20 0.37
FLT3 P36888 10/20 0.37
GAS6 Q14393 9/20 0.37
FGFR1 P11362 3/20 0.37
EGFR P00533 2/20 0.37
FGFR2 P21802 1/20 0.37
FGFR4 P22455 1/20 0.37
FGFR3 P22607 1/20 0.37
SELP P16109 2/20 0.36
CDK2 P24941 2/20 0.36
CHEK1 O14757 1/20 0.36
IKBKB O14920 1/20 0.36
AURKA O14965 1/20 0.36
PAK4 O96013 1/20 0.36
CHEK2 O96017 1/20 0.36
ABL1 P00519 1/20 0.36
INSR P06213 1/20 0.36
LCK P06239 1/20 0.36

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
SCHEMBL3966460 0.92 TYRO3 (0.38) AXLTYRO3MERTKFLT3GAS6
Hydrochloric Acid SCHEMBL3970068 0.91 TYRO3 (0.39) AXLTYRO3MERTKFLT3GAS6
SCHEMBL4079576 0.90 MERTK (0.40) AXLTYRO3MERTKFLT3GAS6
Hydrochloric Acid SCHEMBL3965516 0.90 MERTK (0.40) AXLTYRO3MERTKFLT3GAS6
Hydrochloric Acid SCHEMBL3965432 0.90 MERTK (0.40) AXLTYRO3MERTKFLT3GAS6
SCHEMBL3962136 0.88 FGFR1 (0.40) AXLTYRO3MERTKFLT3GAS6
SCHEMBL3967868 0.87 TYRO3 (0.40) AXLTYRO3MERTKFLT3GAS6
SCHEMBL3961602 0.87 FGFR1 (0.42) AXLTYRO3MERTKFLT3GAS6
SCHEMBL4073584 0.87 FGFR1 (0.49) AXLTYRO3MERTKFLT3GAS6
Hydrochloric Acid SCHEMBL3965773 0.86 FGFR1 (0.39) AXLTYRO3MERTKFLT3GAS6

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 AXL 1561/4885TYRO3 456/4885MERTK 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.