SCHEMBL2180882

SCHEMBL2180882

COC(=O)CCCCCNc1ncnc2oc(-c3ccccc3)c(-c3ccc(C)cn3)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 12/20 0.60
KMT2A Q03164 3/20 0.52
RAD52 P43351 1/20 0.52
CHEK1 O14757 2/20 0.52
MAP2K1 Q02750 1/20 0.52
MEN1 O00255 2/20 0.49
EGFR P00533 3/20 0.49
KDM4E B2RXH2 2/20 0.47
USP2 O75604 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
AURKB Q96GD4 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL12409647 0.92 AURKA (0.58) AURKAKMT2ARAD52CHEK1MAP2K1
SCHEMBL4527312 0.90 AURKA (0.68) AURKAKMT2ARAD52CHEK1MAP2K1
SCHEMBL2177367 0.90 AURKA (0.58) AURKAKMT2ARAD52CHEK1MAP2K1
SCHEMBL2181535 0.90 AURKA (0.58) AURKAKMT2ARAD52CHEK1MAP2K1
SCHEMBL4531678 0.89 AURKA (0.71) AURKAKMT2ARAD52CHEK1MAP2K1
SCHEMBL2179732 0.89 AURKA (0.57) AURKAKMT2ARAD52CHEK1MAP2K1
SCHEMBL6750025 0.84 AURKA (0.64) AURKAKMT2ARAD52CHEK1MAP2K1
SCHEMBL6750256 0.84 AURKA (0.64) AURKAKMT2ARAD52CHEK1MAP2K1
SCHEMBL6750362 0.84 KMT2A (0.70) AURKAKMT2ARAD52CHEK1MAP2K1
SCHEMBL4535136 0.84 AURKA (0.64) AURKAKMT2ARAD52CHEK1MAP2K1

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 AURKA 2987/4885KMT2A 1997/4885RAD52 411/4885

“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.