SCHEMBL3961848

SCHEMBL3961848

CC(C)(C)OC(=O)N1CCC(C(=O)NCCCNc2ncc(Cl)c(-c3cc4c(C(=O)NC5CC5)cccc4s3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.38
STS P08842 1/20 0.38
PARP1 P09874 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MERTK Q12866 2/20 0.38
THRB P10828 1/20 0.38
TBK1 Q9UHD2 1/20 0.37
CCNT1 O60563 1/20 0.37
TP53 P04637 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
SCHEMBL3963408 0.97 MERTK (0.39) LMNAPOLBMAPTPARP1MERTK
SCHEMBL3963399 0.97 MERTK (0.39) LMNAPOLBMAPTPARP1MERTK
SCHEMBL3965646 0.91 TBK1 (0.44) MERTKTBK1
SCHEMBL3966644 0.90 LMNA (0.42) LMNAPOLBMAPTPARP1MEN1
SCHEMBL4084286 0.88 STK17B (0.43) MERTK
SCHEMBL3963951 0.87 LMNA (0.37) LMNAPOLBMAPTPARP1MEN1
SCHEMBL13799541 0.84 SIRT5 (0.38) MERTKCCNT1
SCHEMBL4085216 0.83 GPR119 (0.43) POLBMERTK
SCHEMBL3969362 0.82 MAPT (0.42) LMNAPOLBMAPTPARP1MEN1
SCHEMBL3971646 0.82 MERTK (0.41) LMNAPOLBMAPTPARP1MEN1

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 LMNA 3574/4885POLB 432/4885MAPT 2245/4885

“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.