SCHEMBL3034098

SCHEMBL3034098

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2)cc(-c2ccc(-c4ccccc4)c4c2C(=O)NC4)n3C(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.41
CNR2 P34972 1/20 0.41
AKT1 P31749 1/20 0.38
BACE1 P56817 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H2 P55055 8/20 0.37
BRD4 O60885 1/20 0.37
CREBBP Q92793 1/20 0.37
NR1H3 Q13133 1/20 0.37
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CCNA1 P78396 1/20 0.36
ROCK2 O75116 1/20 0.36
HDAC4 P56524 1/20 0.36
CKS1B P61024 2/20 0.36
SKP1 P63208 2/20 0.36
SKP2 Q13309 2/20 0.36

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
SCHEMBL3039265 0.89 MEN1 (0.41) CRBNCNR2AKT1MEN1KMT2A
SCHEMBL3041591 0.89 MEN1 (0.43) CRBNCNR2AKT1MEN1KMT2A
SCHEMBL5050595 0.88 GBA1 (0.40) CRBNCNR2AKT1MEN1KMT2A
SCHEMBL3050148 0.88 CFTR (0.39) CRBNCNR2MEN1KMT2ANR1H2
SCHEMBL3044424 0.88 CACNA1B (0.39) CRBNCNR2AKT1MEN1KMT2A
SCHEMBL3151651 0.86 MEN1 (0.36) CRBNCNR2AKT1MEN1KMT2A
SCHEMBL3046089 0.84 CCNA2 (0.40) CRBNCNR2MEN1KMT2ANR1H2
SCHEMBL3048102 0.83 ADORA2A (0.36) CNR2NR1H2BRD4CREBBPNR1H3
SCHEMBL3033984 0.82 MEN1 (0.43) CRBNCNR2AKT1MEN1KMT2A
SCHEMBL3039650 0.82 CRBN (0.42) CRBNCNR2AKT1BACE1MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
EP-2108642-A1 JAK INHIBITOR Kyowa Hakko Kirin Co., Ltd. (JP) 2009-10-14 EP disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 CRBN 143/4885CNR2 134/4885AKT1 2262/4885

“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.