SCHEMBL3033759

SCHEMBL3033759

COC(=O)/C=C/c1cc(-c2cc3cc(C(=O)N4CCN(C(=O)OC(C)(C)C)CC4)ccc3n2C(=O)OC(C)(C)C)c2c(c1N)C(=O)NC2=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CRBN Q96SW2 1/20 0.35
CNR2 P34972 1/20 0.35
CCNA2 P20248 4/20 0.35
CDK2 P24941 4/20 0.35
TTK P33981 4/20 0.35
AURKA O14965 3/20 0.34
NR1H2 P55055 2/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
EPHX2 P34913 2/20 0.33
HDAC4 P56524 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
PARP1 P09874 1/20 0.32
ATR Q13535 1/20 0.32
ATRIP Q8WXE1 1/20 0.32
CFTR P13569 1/20 0.32
AKT1 P31749 1/20 0.32

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
SCHEMBL3033763 1.00 MEN1 (0.36) MEN1KMT2ACRBNCNR2CCNA2
SCHEMBL5049637 0.83 MEN1 (0.43) MEN1KMT2ACRBNCNR2CCNA2
SCHEMBL3039650 0.83 CRBN (0.42) MEN1KMT2ACRBNCNR2CCNA2
SCHEMBL3050842 0.82 NR1H2 (0.40) MEN1KMT2ACRBNCNR2CCNA2
SCHEMBL3047862 0.81 GBA1 (0.39) MEN1KMT2ACRBNCNR2CCNA2
SCHEMBL3047927 0.80 ADORA2A (0.41) MEN1KMT2ACRBNCNR2CCNA2
SCHEMBL3034503 0.77 MEN1 (0.43) MEN1KMT2ACRBNCNR2CCNA2
SCHEMBL3039265 0.74 MEN1 (0.41) MEN1KMT2ACRBNCNR2CCNA2
SCHEMBL3050148 0.73 CFTR (0.39) MEN1KMT2ACRBNCNR2CCNA2
SCHEMBL3050419 0.73 KDR (0.49) PARP1ATR

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
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US 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 MEN1 1165/4885KMT2A 320/4885CRBN 143/4885

“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.