SCHEMBL3966460

SCHEMBL3966460

Cc1cnc(NCCCN2C(C)CNCC2C)nc1-c1cc2c(C(=O)NC3CC3)cccc2s1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 16/20 0.38
MERTK Q12866 15/20 0.38
FLT3 P36888 14/20 0.38
GAS6 Q14393 13/20 0.38
AXL P30530 4/20 0.36
PDK1 Q15118 2/20 0.36
PDK2 Q15119 2/20 0.36
PDK3 Q15120 2/20 0.36
PDK4 Q16654 2/20 0.36
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34

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
SCHEMBL3961604 0.92 AXL (0.38) TYRO3MERTKFLT3GAS6AXL
SCHEMBL4090204 0.90 MERTK (0.41) TYRO3MERTKFLT3GAS6AXL
Hydrochloric Acid SCHEMBL3965512 0.89 MERTK (0.40) TYRO3MERTKFLT3GAS6AXL
SCHEMBL3965641 0.87 MERTK (0.39) TYRO3MERTKFLT3GAS6AXL
SCHEMBL3964769 0.86 FGFR1 (0.45) TYRO3MERTKFLT3GAS6AXL
Hydrochloric Acid SCHEMBL3958567 0.86 FGFR1 (0.45) TYRO3MERTKFLT3GAS6AXL
Hydrochloric Acid SCHEMBL3965367 0.86 FGFR1 (0.45) TYRO3MERTKFLT3GAS6AXL
Hydrochloric Acid SCHEMBL3965328 0.85 FLT3 (0.38) TYRO3MERTKFLT3GAS6AXL
SCHEMBL3964338 0.85 TYRO3 (0.43) TYRO3MERTKFLT3GAS6AXL
SCHEMBL3966411 0.85 TYRO3 (0.39) TYRO3MERTKFLT3GAS6AXL

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 456/4885MERTK 802/4885FLT3 706/4885

“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.