SCHEMBL3964036

SCHEMBL3964036

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

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
IDO1 P14902 1/20 0.38
MAPT P10636 1/20 0.37
PARP1 P09874 2/20 0.37
CYP2C9 P11712 1/20 0.37
NAMPT P43490 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
IGF1R P08069 2/20 0.36
MERTK Q12866 2/20 0.36
FLT3 P36888 1/20 0.36
TYRO3 Q06418 1/20 0.36
GAS6 Q14393 1/20 0.36
LMNA P02545 2/20 0.36
THRB P10828 1/20 0.36
ACKR3 P25106 1/20 0.35
TP53 P04637 1/20 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
SCHEMBL3971646 0.91 MERTK (0.41) POLBMAPTPARP1MEN1KMT2A
Hydrochloric Acid SCHEMBL4085230 0.89 TYRO3 (0.38) KMT2AMERTKFLT3TYRO3GAS6
Hydrochloric Acid SCHEMBL3962496 0.85 TYRO3 (0.36) KMT2AMERTKFLT3TYRO3GAS6
SCHEMBL3969362 0.83 MAPT (0.42) POLBMAPTPARP1MEN1KMT2A
SCHEMBL3966644 0.82 LMNA (0.42) POLBMAPTPARP1MEN1KMT2A
SCHEMBL3963951 0.82 LMNA (0.37) POLBMAPTPARP1MEN1KMT2A
Hydrochloric Acid SCHEMBL3964077 0.81 TYRO3 (0.38) MERTKFLT3TYRO3GAS6
Hydrochloric Acid SCHEMBL3965827 0.81 DRD3 (0.41) KMT2AMERTKFLT3TYRO3GAS6
Hydrochloric Acid SCHEMBL3965322 0.81 AXL (0.40) MERTKFLT3TYRO3GAS6
SCHEMBL4085216 0.80 GPR119 (0.43) POLBMERTK

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 POLB 432/4885IDO1 92/4885MAPT 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.