SCHEMBL4293846

SCHEMBL4293846

CCC(O)CNCCCO

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.40
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 3/20 0.33
PTGS1 P23219 1/20 0.32
KCNH2 Q12809 1/20 0.32
ANPEP P15144 1/20 0.32
ERAP2 Q6P179 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 2/20 0.30
RAD52 P43351 1/20 0.30
LMNA P02545 2/20 0.30
CNR1 P21554 1/20 0.30
ADRA1A P35348 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL27414997 0.88 PKM (0.44) PKMKDM4EALDH1A1KMT2AANPEP
SCHEMBL11765569 0.88 PKM (0.50) PKMKDM4EALDH1A1KMT2AANPEP
SCHEMBL11765853 0.86 PKM (0.48) PKMKDM4EALDH1A1KMT2AANPEP
SCHEMBL1290407 0.86
SCHEMBL3685107 0.86
SCHEMBL8109376 0.85 PKM (0.41) PKMKDM4EALDH1A1PTGS1KCNH2
SCHEMBL2242929 0.84 TSHR (0.46) PKMKDM4EALDH1A1KMT2AANPEP
SCHEMBL27415012 0.83 KDM4E (0.42) PKMKDM4EALDH1A1KMT2AANPEP
SCHEMBL15641252 0.82 TSHR (0.36) PKMKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL17351928 0.82 TSHR (0.52) PKMKDM4EALDH1A1ANPEPERAP2

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 1346/4885ALDH1A1 3580/4885
US-20090215770-A1 Substituted Quinazoline Derivatives as Inhibitors of Aurora Kinases AURKC, AURKA, AURKB PKM 670/4885KDM4E 1249/4885ALDH1A1 3434/4885

“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.