SCHEMBL3971646

SCHEMBL3971646

CC(C)(C)OC(=O)N1CCC(CCNc2ncc(Br)c(-c3cc4c(C(=O)NC5CC5)cccc4s3)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.41
POLB P06746 1/20 0.41
PARP1 P09874 2/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 2/20 0.39
IGF1R P08069 2/20 0.39
THRB P10828 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
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
SCHEMBL3969362 0.92 MAPT (0.42) MERTKPOLBPARP1MAPTMEN1
SCHEMBL3966644 0.92 LMNA (0.42) MERTKPOLBPARP1MAPTMEN1
SCHEMBL3964036 0.91 POLB (0.38) MERTKPOLBPARP1MAPTMEN1
Hydrochloric Acid SCHEMBL3965827 0.89 DRD3 (0.41) MERTKKMT2ACCNA2CDK2
SCHEMBL4085216 0.88 GPR119 (0.43) MERTKPOLBGPR119
Hydrochloric Acid SCHEMBL3966587 0.87 DRD3 (0.39) MERTKPARP1
Hydrochloric Acid SCHEMBL3966891 0.85 AXL (0.43) MERTK
Hydrochloric Acid SCHEMBL3969342 0.85 TYRO3 (0.43) MERTKKMT2ACCNA2CDK2
SCHEMBL3961579 0.85 TYRO3 (0.39) MERTK
SCHEMBL13799540 0.82 KMT2A (0.41) MERTKMEN1KMT2A

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 802/4885POLB 432/4885PARP1 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.