SCHEMBL4293843

SCHEMBL4293843

CCC(O)CNCCC[O]

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
KDM4E B2RXH2 2/20 0.34
ANPEP P15144 2/20 0.34
ERAP2 Q6P179 1/20 0.34
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL11765569 0.86 PKM (0.50) PKMKDM4EANPEPERAP2ALDH1A1
SCHEMBL27414997 0.86 PKM (0.44) PKMKDM4EANPEPERAP2ALDH1A1
SCHEMBL11765853 0.84 PKM (0.48) PKMKDM4EANPEPERAP2ALDH1A1
SCHEMBL2242929 0.82 TSHR (0.46) PKMKDM4EANPEPERAP2ALDH1A1
SCHEMBL27415012 0.81 KDM4E (0.42) PKMKDM4EANPEPALDH1A1KMT2A
SCHEMBL4293846 0.80 PKM (0.40) PKMKDM4EANPEPERAP2ALDH1A1
SCHEMBL17351928 0.80 TSHR (0.52) PKMKDM4EANPEPERAP2ALDH1A1
SCHEMBL3424460 0.80 PKM (0.40) PKMALDH1A1
SCHEMBL24459668 0.78 ANPEP (0.50) PKMANPEPERAP2ALDH1A1
SCHEMBL6249621 0.78 ANPEP (0.50) PKMANPEPERAP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases ASTRAZENECA AB (SE) 2009-08-27 US disclosed
US-7402585-B2 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2008-07-22 US disclosed
US-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases ASTRAZENECA AB (SE) 2005-03-31 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 (2 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-20050070561-A1 Substituted quinazoline derivatives as inhibitors of aurora kinases AURKC, AURKA, AURKB PKM 417/4885KDM4E 1346/4885ANPEP 1963/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB PKM 670/4885KDM4E 1249/4885ANPEP 2334/4885

“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.