SCHEMBL3020288

SCHEMBL3020288

COc1ccc2c(n1)N(c1cnc3c(c1)CCC(NC(=O)O)C3)C(=O)CN2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.36
IDH1 O75874 3/20 0.33
MAPK1 P28482 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
CRBN Q96SW2 4/20 0.32
MTNR1A P48039 2/20 0.31
MTNR1B P49286 2/20 0.31
HTR2C P28335 1/20 0.30
HPGDS O60760 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
SCHEMBL3024862 0.87 CA1 (0.39) RIPK1IDH1HDAC8CRBNMTNR1A
SCHEMBL3012194 0.83 RIPK1 (0.33) RIPK1IDH1HDAC8
SCHEMBL3008126 0.78 MTNR1A (0.34) MAPK1MTNR1AMTNR1B
SCHEMBL3030115 0.76 KCNH2 (0.38) RIPK1CRBN
SCHEMBL3723303 0.75
SCHEMBL3023008 0.73 HTR2C (0.32) MTNR1AMTNR1BHTR2C
SCHEMBL3663681 0.72 PDE2A (0.37) RIPK1MAPK1CRBNMTNR1AMTNR1B
SCHEMBL3016282 0.72
SCHEMBL3026890 0.71 KDM4C (0.40) MTNR1AMTNR1BHTR2C
SCHEMBL3724329 0.69 KDM4C (0.31) CRBN

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197679-A1 COMPOUNDS GLAXO GROUP LIMITED 2010-08-05 US 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-20100197679-A1 COMPOUNDS NRDC, MRPL21, NISCH RIPK1 2693/4885IDH1 720/4885MAPK1 3879/4885

“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.