SCHEMBL17898366

SCHEMBL17898366

Cc1c(COc2ccc(CNCCCN3CCCC3=O)cc2)cccc1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 17/20 1.00
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
AKT1 P31749 1/20 0.48
PDCD1 Q15116 1/20 0.47

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
SCHEMBL16554677 0.91 CD274 (1.00) CD274MEN1KMT2A
SCHEMBL17889728 0.88 CD274 (1.00) CD274
SCHEMBL16555134 0.88 CD274 (0.79) CD274PDCD1
SCHEMBL16554928 0.86 CD274 (1.00) CD274
SCHEMBL5098455 0.83 CD274 (0.71) CD274MEN1KMT2AAKT1
SCHEMBL5105512 0.83 MEN1 (0.77) CD274MEN1KMT2A
SCHEMBL16555131 0.80 CD274 (1.00) CD274PDCD1
SCHEMBL5098986 0.80 CD274 (0.66) CD274MEN1KMT2AAKT1
SCHEMBL16554899 0.80 CD274 (1.00) CD274PDCD1
SCHEMBL5096313 0.78 KMT2A (0.66) CD274MEN1KMT2AAKT1

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-9872852-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-23 US disclosed
US-9872852-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-23 US disclosed
US-20160194307-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-07-07 US disclosed
US-20160194307-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2016-07-07 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-20160194307-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HAVCR2, CD4 CD274 121/4885MEN1 1811/4885KMT2A 4474/4885

“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.