SCHEMBL19900620

SCHEMBL19900620

CCOC(=O)C(CC)C1CCC(c2ccnc(C(F)(F)F)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
IDO1 P14902 4/20 0.37
RAF1 P04049 3/20 0.37
TLR9 Q9NR96 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
TLR8 Q9NR97 1/20 0.37
LNPEP Q9UIQ6 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SPR P35270 1/20 0.35
CYP17A1 P05093 2/20 0.34
CBLB Q13191 1/20 0.34
CCR2 P41597 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL19900610 0.88 HDAC4 (0.42) HDAC4IDO1RAF1TLR9TLR7
SCHEMBL19900769 0.88 HDAC4 (0.46) HDAC4IDO1TLR9TLR7TLR8
SCHEMBL19900747 0.79 HDAC4 (0.36) HDAC4RAF1TLR9TLR7TLR8
SCHEMBL19900796 0.77 HDAC4 (0.49) HDAC4IDO1TLR9TLR7TLR8
SCHEMBL17730140 0.76 IDO1 (0.53) IDO1KCNH2
SCHEMBL20555905 0.76 IDO1 (0.53) IDO1KCNH2
SCHEMBL21836475 0.76 IDO1 (0.45) IDO1ALDH1A1GAAL3MBTL1
SCHEMBL21836477 0.76 IDO1 (0.45) IDO1ALDH1A1GAAL3MBTL1
SCHEMBL17730141 0.76 IDO1 (0.53) IDO1KCNH2
SCHEMBL21836586 0.74 TLR7 (0.41) IDO1TLR7NPSR1ALDH1A1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11337970-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use BRISTOL-MYERS SQUIBB COMPANY (US) 2022-05-24 US disclosed
US-20210290613-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-23 US disclosed
EP-3503891-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE Bristol-Myers Squibb Company (US) 2019-07-03 EP disclosed
CN-109843293-A The inhibitor and its application method of indole amine 2,3-dioxygenase 百时美施贵宝公司 2019-06-04 CN disclosed
WO-2018039512-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-01 WO 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-11337970-B2 Inhibitors of indoleamine 2,3-dioxygenase and methods of their use IDO1, IDO2, INMT HDAC4 390/4885IDO1 1/4885RAF1 3013/4885
US-20210290613-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT HDAC4 390/4885IDO1 1/4885RAF1 3013/4885

“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.