Sugi Predict

Sugi Predict / Compounds / SCHEMBL2181801

SCHEMBL2181801

SCHEMBL2181801

CCc1ccc(-c2coc3ncnc(O[C@H](C)CCCCC(=O)OC(C)(C)C)c23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.38
▸ KDR P35968 5/20 0.33
▸ FLT1 P17948 4/20 0.33
▸ PLK4 O00444 3/20 0.33
▸ ROCK2 O75116 3/20 0.33
▸ MAP4K4 O95819 3/20 0.33
▸ LCK P06239 3/20 0.33
▸ LYN P07948 3/20 0.33
▸ RET P07949 3/20 0.33
▸ FLT4 P35916 3/20 0.33
▸ FLT3 P36888 3/20 0.33
▸ FRK P42685 3/20 0.33
▸ CSNK1D P48730 3/20 0.33
▸ BLK P51451 3/20 0.33
▸ IRAK1 P51617 3/20 0.33
▸ NEK2 P51955 3/20 0.33
▸ LIMK1 P53667 3/20 0.33
▸ CSNK1G2 P78368 3/20 0.33
▸ MAP4K2 Q12851 3/20 0.33
▸ STK3 Q13188 3/20 0.33

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
SCHEMBL2179258 0.90 KDR (0.45) RIPK1KDRFLT1PLK4ROCK2
SCHEMBL12409607 0.90 KDR (0.45) RIPK1KDRFLT1PLK4ROCK2
SCHEMBL2181805 0.83 RIPK1 (0.38) RIPK1KDRFLT1PLK4ROCK2
SCHEMBL12409629 0.83 MCL1 (0.32) AURKBAURKAMCL1
SCHEMBL2177086 0.83 RIPK1 (0.38) RIPK1KDRFLT1PLK4ROCK2
SCHEMBL4537720 0.80 AURKA (0.34) KDRAURKBAXLEGFRAURKA
SCHEMBL4530370 0.80 AURKA (0.34) KDRAURKBAXLEGFRAURKA
SCHEMBL12409712 0.79 AURKA (0.35) KDRAURKBEGFRAURKATEK
SCHEMBL12409623 0.78 RIPK1 (0.40) RIPK1KDRFLT1PLK4ROCK2
SCHEMBL12409630 0.78 AURKA (0.39) AURKBEGFRAURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 — — US disclosed
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 — — US disclosed
US-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-07-07 — — US disclosed
EP-2158206-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-03 — — EP disclosed
WO-2008155016-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 — — WO disclosed
WO-2008155016-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-24 — — 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-20110166163-A1 SUBSTITUTED FUROPYRIMIDINES AND USE THEREOF DPYD, TPMT, TYMP RIPK1 4127/4885KDR 1007/4885FLT1 475/4885

“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.