SCHEMBL3970083

SCHEMBL3970083

CNC(=O)c1ccc2cc(-c3nc(NCCCN4CCN(C(=O)OC(C)(C)C)CC4)ncc3C)sc2c1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 5/20 0.45
DYRK2 Q92630 3/20 0.42
TLR8 Q9NR97 1/20 0.39
LCK P06239 1/20 0.38
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KMT5A Q9NQR1 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
SCHEMBL3962142 0.88 ACKR3 (0.55) ACKR3DYRK2TLR8LMNATP53
Hydrochloric Acid SCHEMBL3961979 0.88 ICAM1 (0.45) LCKICAM1SELETP53MAPT
SCHEMBL3966820 0.88 DYRK2 (0.41) DYRK2MAPT
Hydrochloric Acid SCHEMBL3967074 0.85 DYRK2 (0.37) DYRK2LCKICAM1SELETP53
SCHEMBL3964488 0.81 LCK (0.43) LCKICAM1SELETP53
SCHEMBL3965368 0.81 FGFR1 (0.42) LCKICAM1SELE
SCHEMBL3966819 0.80 FGFR1 (0.46) LCKICAM1SELE
Hydrochloric Acid SCHEMBL3958563 0.80 FGFR1 (0.42) LCKICAM1SELE
Hydrochloric Acid SCHEMBL3962057 0.80 HRH4 (0.41) LCK
Hydrochloric Acid SCHEMBL3961568 0.80 AXL (0.38) LCKICAM1SELETP53MAPT

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 ACKR3 2346/4885DYRK2 2098/4885TLR8 932/4885

“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.