SCHEMBL19897679

SCHEMBL19897679

Cc1c(OCCCN(Cc2ccccn2)Cc2ccccn2)cccc1-c1cccc(OCCCN2CCC(O)C2)c1C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 16/20 0.46
PDCD1 Q15116 8/20 0.46
VSIR Q9H7M9 5/20 0.46
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TERT O14746 1/20 0.39
PDCD1LG2 Q9BQ51 1/20 0.38

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
SCHEMBL30393697 1.00 CD274 (0.46) CD274PDCD1VSIRKDM4EALDH1A1
SCHEMBL19897677 1.00 CD274 (0.46) CD274PDCD1VSIRKDM4EALDH1A1
SCHEMBL19897858 0.92 CD274 (0.46) CD274PDCD1VSIRKDM4EALDH1A1
SCHEMBL19897863 0.92 CD274 (0.46) CD274PDCD1VSIRKDM4EALDH1A1
SCHEMBL19937791 0.90 CD274 (0.42) CD274PDCD1VSIRKDM4EALDH1A1
SCHEMBL24445448 0.86 CYP2D6 (0.49) CD274KDM4EALDH1A1TERT
SCHEMBL19897514 0.84 CD274 (0.51) CD274PDCD1VSIRKDM4EALDH1A1
SCHEMBL19897696 0.84 CD274 (0.54) CD274PDCD1VSIRALDH1A1
SCHEMBL19897693 0.84 CD274 (0.54) CD274PDCD1VSIRALDH1A1
SCHEMBL30394476 0.84 CD274 (0.54) CD274PDCD1VSIRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3507284-B1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-25 EP claimed
EP-3507284-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2019-07-10 EP claimed
US-10144706-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-04 US claimed
WO-2018044963-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-08 WO claimed
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-03-01 US claimed
EP-3507284-B1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-25 EP disclosed
EP-3507284-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2019-07-10 EP disclosed
US-10144706-B2 Compounds useful as immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-04 US disclosed
WO-2018044963-A1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-08 WO disclosed
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2018-03-01 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 (2 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-10144706-B2 Compounds useful as immunomodulators CD74, HLA-DRB1, CD47 CD274 52/4885PDCD1 161/4885VSIR 2484/4885
US-20180057455-A1 COMPOUNDS USEFUL AS IMMUNOMODULATORS CD74, HLA-DRB1, CD47 CD274 52/4885PDCD1 161/4885VSIR 2484/4885

“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.