SCHEMBL4085203

SCHEMBL4085203

CC(C)(C)OC(=O)N1CCN(CCCNc2ncc(F)c(-c3cc4c(C(=O)NC5CC5)cccc4s3)n2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 4/20 0.42
CCND1 P24385 1/20 0.42
CDK6 Q00534 1/20 0.42
DYRK2 Q92630 2/20 0.40
MERTK Q12866 5/20 0.40
FLT3 P36888 4/20 0.40
TYRO3 Q06418 4/20 0.40
AXL P30530 2/20 0.40
GAS6 Q14393 2/20 0.39
TP53 P04637 3/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4085216 0.91 GPR119 (0.43) CCND1CDK6MERTKPOLB
SCHEMBL3969687 0.90 TYRO3 (0.42) CCND1CDK6MERTKFLT3TYRO3
Hydrochloric Acid SCHEMBL4089417 0.90 FGFR1 (0.44) CCND1CDK6MERTKFLT3TYRO3
Hydrochloric Acid SCHEMBL4079945 0.85 TYRO3 (0.40) CCND1CDK6DYRK2MERTKFLT3
Hydrochloric Acid SCHEMBL3965318 0.83 CDK1 (0.45) CCND1CDK6MERTKFLT3TYRO3
SCHEMBL3964769 0.82 FGFR1 (0.45) MERTKFLT3TYRO3AXLGAS6
SCHEMBL3969362 0.82 MAPT (0.42) MERTKTP53LMNAPOLB
SCHEMBL3969289 0.82 FGFR1 (0.44) ACKR3
SCHEMBL3966644 0.82 LMNA (0.42) MERTKTP53LMNAPOLB
SCHEMBL3971646 0.82 MERTK (0.41) MERTKTP53LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ACKR3 2346/4885CCND1 1420/4885CDK6 141/4885

“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.