SCHEMBL3961579

SCHEMBL3961579

O=C(NC1CC1)c1cccc2sc(-c3nc(NCCC4CCNCC4)ncc3Br)cc12

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 3/20 0.39
MERTK Q12866 2/20 0.39
AXL P30530 1/20 0.39
DRD3 P35462 5/20 0.37
FLT3 P36888 2/20 0.36
CHEK1 O14757 1/20 0.35
GAS6 Q14393 1/20 0.35
ULK1 O75385 1/20 0.35
CHRM1 P11229 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
DRD2 P14416 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGA2B P08514 1/20 0.34
CNR2 P34972 1/20 0.33
PTK2 Q05397 2/20 0.33
NTRK1 P04629 1/20 0.33

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
SCHEMBL3966290 0.95 TYRO3 (0.41) TYRO3MERTKAXLDRD3FLT3
SCHEMBL3966705 0.92 CCNT1 (0.35) TYRO3MERTKAXLFLT3CHEK1
SCHEMBL3961594 0.91 TYRO3 (0.40) TYRO3MERTKAXLDRD3FLT3
SCHEMBL3961504 0.91 TYRO3 (0.40) TYRO3MERTKAXLFLT3CHEK1
Hydrochloric Acid SCHEMBL3966674 0.90 TYRO3 (0.40) TYRO3MERTKAXLDRD3FLT3
Hydrochloric Acid SCHEMBL3965827 0.89 DRD3 (0.41) TYRO3MERTKDRD3FLT3CHEK1
SCHEMBL13799540 0.88 KMT2A (0.41) TYRO3MERTKAXLDRD3FLT3
SCHEMBL3965664 0.88 MERTK (0.36) TYRO3MERTKAXLFLT3GAS6
Hydrochloric Acid SCHEMBL3966587 0.87 DRD3 (0.39) TYRO3MERTKAXLDRD3FLT3
Hydrochloric Acid SCHEMBL3964602 0.87 KMT2A (0.40) TYRO3MERTKAXLDRD3FLT3

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 TYRO3 456/4885MERTK 802/4885AXL 1561/4885

“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.