SCHEMBL3048367

SCHEMBL3048367

Cc1nc(S(=O)(=O)Oc2ccc(-c3cc4cc(CN5CCCCC5)ccc4n3C(=O)OC(C)(C)C)c3c2CNC3=O)cn1C

nearest known ligand 0.31

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
IDO2 Q6ZQW0 1/20 0.31
ATR Q13535 1/20 0.31
ATRIP Q8WXE1 1/20 0.31
NR1H2 P55055 2/20 0.30
NSD2 O96028 1/20 0.30
PRKCB P05771 1/20 0.30
PRKCA P17252 1/20 0.30
PRKCH P24723 1/20 0.30
PRKCE Q02156 1/20 0.30
PRKCQ Q04759 1/20 0.30
PRKCD Q05655 1/20 0.30

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
SCHEMBL3033796 0.89 NR1H2 (0.36) ATRATRIPNR1H2
SCHEMBL3034029 0.88 NR1H2 (0.36) ATRATRIPNR1H2
SCHEMBL3051260 0.87 NR1H2 (0.34) NR1H2
SCHEMBL3048132 0.87 NR1H2 (0.35) IDO1TDO2IDO2ATRATRIP
SCHEMBL3042556 0.87 NR1H2 (0.38) NR1H2
SCHEMBL3039560 0.87 NR1H2 (0.40) NR1H2
SCHEMBL3041960 0.87 NR1H2 (0.31) IDO1TDO2IDO2ATRATRIP
SCHEMBL3037531 0.86 NR1H2 (0.36) IDO1TDO2IDO2ATRATRIP
SCHEMBL3046870 0.86 NR1H2 (0.34) IDO1TDO2IDO2ATRATRIP
SCHEMBL3050701 0.86 NR1H2 (0.35) IDO1TDO2IDO2ATRATRIP

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 IDO1 1683/4885TDO2 1041/4885IDO2 2063/4885

“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.