SCHEMBL3965664

SCHEMBL3965664

CNC(=O)c1cccc2sc(-c3nc(NCCCC4CCNCC4)ncc3Br)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 7/20 0.36
TYRO3 Q06418 4/20 0.36
FLT3 P36888 2/20 0.36
GAS6 Q14393 2/20 0.36
ACP1 P24666 4/20 0.35
NAMPT P43490 1/20 0.35
AXL P30530 3/20 0.34
CCNT1 O60563 1/20 0.34
CCNK O75909 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
CDK9 P50750 1/20 0.34
CDK12 Q9NYV4 1/20 0.34
HRH4 Q9H3N8 1/20 0.33
BRD4 O60885 1/20 0.33
FGFR1 P11362 1/20 0.33
CNR2 P34972 1/20 0.33
PRMT3 O60678 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32

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
SCHEMBL3966705 0.95 CCNT1 (0.35) MERTKTYRO3FLT3GAS6AXL
SCHEMBL3966290 0.92 TYRO3 (0.41) MERTKTYRO3FLT3GAS6ACP1
SCHEMBL3961626 0.92 MERTK (0.36) MERTKTYRO3FLT3GAS6ACP1
Hydrochloric Acid SCHEMBL3965606 0.90 HRH4 (0.40) MERTKTYRO3FLT3GAS6CCNT1
SCHEMBL3961579 0.88 TYRO3 (0.39) MERTKTYRO3FLT3GAS6AXL
Hydrochloric Acid SCHEMBL3970352 0.85 GSK3B (0.36) MERTKTYRO3FLT3GAS6AXL
SCHEMBL3958520 0.85 TYRO3 (0.43) MERTKTYRO3FLT3GAS6ACP1
Hydrochloric Acid SCHEMBL3969342 0.83 TYRO3 (0.43) MERTKTYRO3FLT3GAS6AXL
Hydrochloric Acid SCHEMBL3965419 0.83 BDKRB1 (0.35) MERTKTYRO3FLT3GAS6AXL
SCHEMBL3964106 0.83 TYRO3 (0.41) MERTKTYRO3FLT3GAS6ACP1

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 802/4885TYRO3 456/4885FLT3 706/4885

“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.