SCHEMBL3965455

SCHEMBL3965455

CC1CN(C(=O)OC(C)(C)C)CCN1CCCN

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
SETD7 Q8WTS6 1/20 0.40
GPR119 Q8TDV5 10/20 0.40
NR1H2 P55055 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3965451 1.00 SMARCA2 (0.41) SMARCA2SMARCA4PBRM1SETD7GPR119
SCHEMBL3967765 1.00 SMARCA2 (0.41) SMARCA2SMARCA4PBRM1SETD7GPR119
SCHEMBL3964253 0.92 SMARCA2 (0.42) SMARCA2SMARCA4PBRM1SETD7GPR119
SCHEMBL3964258 0.92 SMARCA2 (0.42) SMARCA2SMARCA4PBRM1SETD7GPR119
SCHEMBL13567959 0.88 NR1H2 (0.43) SMARCA2SMARCA4PBRM1SETD7GPR119
SCHEMBL13568017 0.88 NR1H2 (0.43) SMARCA2SMARCA4PBRM1SETD7GPR119
SCHEMBL23867140 0.86 NR1H2 (0.43) SMARCA2SMARCA4PBRM1SETD7GPR119
SCHEMBL28950964 0.86 NR1H2 (0.43) SMARCA2SMARCA4PBRM1SETD7GPR119
SCHEMBL29300891 0.86 SETD7 (0.42) SETD7GPR119NR1H2MEN1ALDH1A1
SCHEMBL28694792 0.85 DRD3 (0.40) SETD7GPR119NR1H2MEN1ALDH1A1

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 5 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
EP-1989200-A2 [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) 2008-11-12 EP disclosed
WO-2007092095-A2 [4-(BENZO [B] THI0PHEN-2-YL) PYRIMIDIN-2YL] -AMINE DERIVATIVES AS IKK-BETA INHIBITORS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASES. ELI LILLY AND COMPANY (US) 2007-08-16 WO 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 SMARCA2 3157/4885SMARCA4 3047/4885PBRM1 586/4885

“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.