SCHEMBL3958520

SCHEMBL3958520

Cc1cnc(NCCCC2CCNCC2)nc1-c1cc2c(C(=O)NC3CC3)cccc2s1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYRO3 Q06418 11/20 0.43
MERTK Q12866 10/20 0.43
AXL P30530 3/20 0.43
FLT3 P36888 10/20 0.39
GAS6 Q14393 9/20 0.39
PTK2 Q05397 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
ACP1 P24666 2/20 0.35
NAMPT P43490 1/20 0.35
CHEK1 O14757 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
HTR2B P41595 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL3961594 0.95 TYRO3 (0.40) TYRO3MERTKAXLFLT3GAS6
SCHEMBL3961626 0.93 MERTK (0.36) TYRO3MERTKAXLFLT3GAS6
SCHEMBL3965324 0.91 ACP1 (0.45) ACP1
SCHEMBL3962474 0.91 TYRO3 (0.41) TYRO3MERTKAXLFLT3GAS6
SCHEMBL3964106 0.91 TYRO3 (0.41) TYRO3MERTKAXLFLT3GAS6
SCHEMBL3966290 0.91 TYRO3 (0.41) TYRO3MERTKAXLFLT3GAS6
SCHEMBL4084390 0.91 AURKA (0.39) TYRO3MERTKAXLFLT3GAS6
Hydrochloric Acid SCHEMBL3965521 0.90 TYRO3 (0.41) TYRO3MERTKAXLFLT3GAS6
Hydrochloric Acid SCHEMBL3966320 0.90 HRH4 (0.43) TYRO3MERTKAXLFLT3GAS6
Hydrochloric Acid SCHEMBL4083666 0.88 FLT3 (0.42) TYRO3MERTKAXLFLT3GAS6

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.