SCHEMBL15511653

SCHEMBL15511653

O=C(CP(=O)(O)O)c1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
L3MBTL1 Q9Y468 4/20 0.52
LMNA P02545 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
P4HTM Q9NXG6 1/20 0.52
ALDH1A1 P00352 2/20 0.50
CTNNB1 P35222 4/20 0.49
WNT3A P56704 3/20 0.49
GRM4 Q14833 1/20 0.49
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
FDPS P14324 1/20 0.46
GSK3B P49841 1/20 0.46
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
GRM5 P41594 1/20 0.44

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
SCHEMBL13470208 0.80 ALDH1A1 (0.49) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL29355245 0.78 CES2 (0.64) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL2470002 0.78 CTNNB1 (0.71) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL253276 0.78 CES2 (0.64) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL1983225 0.77 L3MBTL1 (0.54) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL2639445 0.76 CES2 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL422631 0.76 CES2 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL422632 0.76 CES2 (0.61) CES2CES1L3MBTL1LMNANAPRT
SCHEMBL4134594 0.75 KMT2A (0.59) CES2CES1ALDH1A1KMT2ASMN1; SMN2
2-Picolinic Acid SCHEMBL10362935 0.75 LMNA (0.83) CES2CES1L3MBTL1LMNANAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190225618-A1 IDO Inhibitors MAUTINO MARIO (US) 2019-07-25 US disclosed
US-10233190-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2019-03-19 US disclosed
EP-3348558-A1 COMPOSITIONS COMPRISING FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS Newlink Genetics Corporation (US) 2018-07-18 EP disclosed
US-20180118753-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2018-05-03 US disclosed
US-9850248-B2 IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2017-12-26 US disclosed
US-20160362412-A1 IDO Inhibitors NEWLINK GENETICS CORPORATION 2016-12-15 US disclosed
US-9388191-B2 Fused imidazole derivatives useful as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2016-07-12 US disclosed
EP-3018132-A1 FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS Newlink Genetics Corporation (US) 2016-05-11 EP disclosed
US-9260434-B2 Fused imidazole derivatives useful as IDO inhibitors NEWLINK GENETICS CORPORATION (US) 2016-02-16 US disclosed
EP-2697227-B1 FUSED IMIDAZOLE DERIVATIVES USEFUL AS IDO INHIBITORS NEWLINK GENETICS CORP (US) 2016-02-03 EP disclosed
US-20160002249-A1 Fused Imidazole Derivatives Useful as IDO Inhibitors NEWLINK GENETICS CORPORATION 2016-01-07 US disclosed
US-20140066625-A1 Fused Imidazole Derivatives Useful as IDO Inhibitors NEWLINK GENETICS CORPORATION (US) 2014-03-06 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 (6 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-20160362412-A1 IDO Inhibitors IDO1, IDO2, INMT CES2 3022/4885CES1 986/4885L3MBTL1 2800/4885
US-20180118753-A1 IDO Inhibitors IDO1, IDO2, INMT CES2 3022/4885CES1 986/4885L3MBTL1 2800/4885
US-20190225618-A1 IDO Inhibitors IDO1, IDO2, INMT CES2 3047/4885CES1 958/4885L3MBTL1 2743/4885
US-10233190-B2 IDO inhibitors IDO1, IDO2, INMT CES2 3022/4885CES1 986/4885L3MBTL1 2800/4885
US-20140066625-A1 Fused Imidazole Derivatives Useful as IDO Inhibitors IDO1, IDO2, INMT CES2 2842/4885CES1 1818/4885L3MBTL1 2197/4885
US-20160002249-A1 Fused Imidazole Derivatives Useful as IDO Inhibitors IDO1, IDO2, INMT CES2 3213/4885CES1 1606/4885L3MBTL1 2940/4885

“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.