SCHEMBL3046531

SCHEMBL3046531

CC(C)(C)OC(=O)n1c(-c2ccc(OS(=O)(=O)c3ccc(Br)cc3)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.35
NR1H2 P55055 13/20 0.34
P2RX7 Q99572 1/20 0.32
JAK3 P52333 1/20 0.32
CHEK1 O14757 1/20 0.32
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3B P49841 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
NR1H3 Q13133 2/20 0.31

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
SCHEMBL3042182 0.94 NR1H2 (0.40) SMN1; SMN2NR1H2NR1H3
SCHEMBL3034029 0.94 NR1H2 (0.36) NR1H2P2RX7
SCHEMBL3044012 0.93 NR1H2 (0.37) SMN1; SMN2NR1H2
SCHEMBL3040414 0.93 NR1H2 (0.34) NR1H2NR1H3
SCHEMBL3039560 0.93 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL3054403 0.93 NR1H2 (0.36) SMN1; SMN2NR1H2CHEK1
SCHEMBL3040914 0.92 NR1H2 (0.38) NR1H2NR1H3
SCHEMBL3045896 0.91 MEN1 (0.34) SMN1; SMN2NR1H2CHEK1
SCHEMBL3044144 0.91 NR1H2 (0.33) NR1H2NR1H3
SCHEMBL3048077 0.91 NR1H2 (0.34) SMN1; SMN2NR1H2NR1H3

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 SMN1; SMN2 3395/4885NR1H2 21/4885P2RX7 1210/4885

“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.