SCHEMBL3963399

SCHEMBL3963399

CC(C)(C)OC(=O)N1CC[C@H](C(=O)NCCCNc2ncc(Cl)c(-c3cc4c(C(=O)NC5CC5)cccc4s3)n2)C1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 4/20 0.39
LMNA P02545 1/20 0.39
PARP1 P09874 2/20 0.38
PARP2 Q9UGN5 1/20 0.38
USP30 Q70CQ3 2/20 0.38
MAPK8 P45983 1/20 0.37
POLB P06746 1/20 0.36
TBK1 Q9UHD2 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 2/20 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
SCHEMBL3963408 1.00 MERTK (0.39) MERTKLMNAPARP1PARP2USP30
SCHEMBL3961848 0.97 LMNA (0.41) MERTKLMNAPARP1POLBTBK1
SCHEMBL3965646 0.89 TBK1 (0.44) MERTKTBK1MAPK1
SCHEMBL3966644 0.88 LMNA (0.42) MERTKLMNAPARP1MAPK8POLB
SCHEMBL4084286 0.87 STK17B (0.43) MERTK
SCHEMBL3963951 0.84 LMNA (0.37) MERTKLMNAPARP1MAPK8POLB
SCHEMBL13799541 0.82 SIRT5 (0.38) MERTK
SCHEMBL4085216 0.82 GPR119 (0.43) MERTKPOLB
SCHEMBL3969362 0.81 MAPT (0.42) MERTKLMNAPARP1POLBMAPT
SCHEMBL3969558 0.81 TYRO3 (0.36) MERTKMAPK1

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 MERTK 802/4885LMNA 3574/4885PARP1 936/4885

“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.