Sugi Predict

Sugi Predict / Compounds / SCHEMBL1726018

SCHEMBL1726018

SCHEMBL1726018

N#Cc1cnc(NCCO)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CCNA1 P78396 2/20 0.42
▸ EGFR P00533 1/20 0.42
▸ S100A9 P06702 1/20 0.41
▸ KCNJ5 P48544 2/20 0.41
▸ KCNJ3 P48549 2/20 0.41
▸ IRAK4 Q9NWZ3 10/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL1725287 0.81 IRAK4 (0.48) IRAK4KDM4EMAPK1ALDH1A1HPGD
SCHEMBL3709816 0.79 EGLN1 (0.42) S100A9IRAK4L3MBTL1
SCHEMBL8989530 0.76 KDM4E (0.40) S100A9IRAK4KDM4EMAPTMAPK1
SCHEMBL3383977 0.76 CYP2D6 (0.42) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL3846025 0.76 MAPT (0.45) EGFRKDM4EMAPTMAPK1ALDH1A1
SCHEMBL1725102 0.76 IRAK4 (0.42) IRAK4KDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL16209890 0.75 CYP1A2 (0.54) KDM4EMAPK1L3MBTL1ALDH1A1HPGD
SCHEMBL1727254 0.74 KDM4E (0.44) IRAK4KDM4EMAPTALDH1A1
SCHEMBL6785725 0.73 GAA (0.53) CCNA2CDK2CCNA1EGFRKDM4E
SCHEMBL2421299 0.72 ALDH1A1 (0.41) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 — — US disclosed
US-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 — — US disclosed
US-8791142-B2 Oxazole pyridine derivatives useful as S1P1 receptor agonists MERCK SERONO S.A. (CH) 2014-07-29 — — US disclosed
EP-2403849-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS Merck Serono S.A. (CH) 2012-01-11 — — EP disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 — — US disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 — — US disclosed
US-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO SA (CH) 2011-12-15 — — US disclosed
WO-2010100142-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO S.A. (CH) 2010-09-10 — — WO disclosed
WO-2010100142-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS MERCK SERONO S.A. (CH) 2010-09-10 — — 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 (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-20110306636-A1 OXAZOLE PYRIDINE DERIVATIVES USEFUL AS S1P1 RECEPTOR AGONISTS S1PR1, S1PR3, S1PR5 CCNA2 4644/4885CDK2 3977/4885CCNA1 3578/4885

“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.