SCHEMBL3039650

SCHEMBL3039650

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2)cc(-c2cc(-c4ccccc4)c(N)c4c2C(=O)NC4=O)n3C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.42
CNR2 P34972 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
BRD4 O60885 1/20 0.38
CREBBP Q92793 1/20 0.38
ADORA2A P29274 4/20 0.38
ADORA1 P30542 4/20 0.38
AKT1 P31749 1/20 0.38
NR1H2 P55055 8/20 0.38
BACE1 P56817 1/20 0.38
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
TTK P33981 1/20 0.36
NR1H3 Q13133 2/20 0.36
KIT P10721 1/20 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
SCHEMBL3050842 0.92 NR1H2 (0.40) CRBNCNR2MEN1KMT2AAKT1
SCHEMBL3047862 0.89 GBA1 (0.39) CRBNCNR2MEN1KMT2ABRD4
SCHEMBL3047927 0.88 ADORA2A (0.41) CRBNCNR2MEN1KMT2ABRD4
SCHEMBL5049637 0.86 MEN1 (0.43) CRBNCNR2MEN1KMT2ABRD4
SCHEMBL3033763 0.83 MEN1 (0.36) CRBNCNR2MEN1KMT2ABRD4
SCHEMBL3033759 0.83 MEN1 (0.36) CRBNCNR2MEN1KMT2ABRD4
SCHEMBL3034098 0.82 CRBN (0.41) CRBNCNR2MEN1KMT2ABRD4
SCHEMBL3040260 0.80 NR1H2 (0.42) NR1H2NR1H3
SCHEMBL3034503 0.80 MEN1 (0.43) CRBNCNR2MEN1KMT2ABRD4
SCHEMBL3037472 0.76 NR1H2 (0.37) BRD4CREBBPNR1H2NR1H3

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 134/4885MEN1 1165/4885

“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.