SCHEMBL2180434

SCHEMBL2180434

C[C@H](CCCCC(=O)O)Oc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.50
AURKA O14965 8/20 0.48
EGFR P00533 5/20 0.47
TNK2 Q07912 1/20 0.45
MAP2K1 Q02750 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
UBE2N P61088 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MERTK Q12866 1/20 0.43
KMT2A Q03164 2/20 0.42
RAD52 P43351 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL4531353 0.94 AURKA (0.45) CHEK1AURKAEGFRTNK2KDM4E
SCHEMBL6750702 0.94 KDM4E (0.54) CHEK1AURKAEGFRTNK2KDM4E
SCHEMBL6750708 0.94 KDM4E (0.54) CHEK1AURKAEGFRTNK2KDM4E
SCHEMBL4530234 0.94 KDM4E (0.54) CHEK1AURKAEGFRTNK2KDM4E
SCHEMBL4519959 0.93 KDM4E (0.53) CHEK1AURKAEGFRTNK2KDM4E
SCHEMBL4519965 0.93 KDM4E (0.53) CHEK1AURKAEGFRTNK2KDM4E
SCHEMBL14923138 0.92 AURKA (0.44) CHEK1AURKAEGFRKDM4EALDH1A1
SCHEMBL2178672 0.89 EGFR (0.44) CHEK1AURKAEGFRTNK2MAP2K1
Monoethanolamine SCHEMBL4531691 0.89 KDM4E (0.52) CHEK1AURKAEGFRTNK2KDM4E
SCHEMBL2180137 0.88 AURKA (0.40) CHEK1AURKAEGFRMAP2K1MERTK

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 1 patent. 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

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 CHEK1 800/4885AURKA 2987/4885EGFR 4267/4885

“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.