SCHEMBL3047862

SCHEMBL3047862

CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc3c(c2)cc(-c2cc(-c4cccs4)c(N)c4c2C(=O)NC4=O)n3C(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
CRBN Q96SW2 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CNR2 P34972 1/20 0.37
ABL1 P00519 3/20 0.36
BCR P11274 3/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
MAOA P21397 2/20 0.34
MAOB P27338 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
TTK P33981 1/20 0.34
EPHX2 P34913 1/20 0.34
AKT1 P31749 1/20 0.34
HDAC3 O15379 1/20 0.33

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
SCHEMBL3039650 0.89 CRBN (0.42) CRBNMEN1KMT2ACNR2BRD4
SCHEMBL3037472 0.88 NR1H2 (0.37) GBA1BRD4CREBBPNR1H2NR1H3
SCHEMBL3047927 0.86 ADORA2A (0.41) GPR119CRBNMEN1KMT2ACNR2
SCHEMBL3050842 0.85 NR1H2 (0.40) GPR119CRBNMEN1KMT2ACNR2
SCHEMBL5049637 0.84 MEN1 (0.43) CRBNMEN1KMT2ACNR2BRD4
SCHEMBL5050595 0.83 GBA1 (0.40) GBA1GPR119CRBNMEN1KMT2A
SCHEMBL3033763 0.81 MEN1 (0.36) CRBNMEN1KMT2ACNR2ABL1
SCHEMBL3033759 0.81 MEN1 (0.36) CRBNMEN1KMT2ACNR2ABL1
SCHEMBL3034503 0.78 MEN1 (0.43) CRBNMEN1KMT2ACNR2ABL1
SCHEMBL3050145 0.74 ADORA2A (0.38) GPR119BRD4CREBBPNR1H2NR1H3

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 GBA1 4282/4885GPR119 941/4885CRBN 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.