SCHEMBL3448169

SCHEMBL3448169

O=C(O)C=Cc1cccc(-c2cnc(Nc3ccc(F)c(Cl)c3)nc2-n2nnc3ccccc32)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.46
GSK3A P49840 2/20 0.46
GSK3B P49841 2/20 0.46
RHOA P61586 2/20 0.40
HDAC1 Q13547 6/20 0.38
HDAC8 Q9BY41 6/20 0.38
HDAC6 Q9UBN7 6/20 0.38
CSNK1A1 P48729 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
APAF1 O14727 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
PIM2 Q9P1W9 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CSNK2A1 P68400 2/20 0.34
EGFR P00533 2/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34

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
SCHEMBL3448165 1.00 AURKA (0.46) AURKAGSK3AGSK3BRHOAHDAC1
SCHEMBL13311002 0.90 HDAC1 (0.37) AURKAGSK3AGSK3BHDAC1HDAC8
SCHEMBL3448314 0.88 AURKA (0.38) AURKAGSK3AGSK3BRHOAHDAC1
SCHEMBL3448311 0.88 AURKA (0.38) AURKAGSK3AGSK3BRHOAHDAC1
SCHEMBL3449053 0.87 RHOA (0.43) AURKAGSK3AGSK3BRHOAHDAC1
SCHEMBL3449049 0.87 RHOA (0.43) AURKAGSK3AGSK3BRHOAHDAC1
SCHEMBL3448515 0.84 PIM2 (0.40) AURKAGSK3AGSK3BRHOACSNK1A1
SCHEMBL3448518 0.84 PIM2 (0.40) AURKAGSK3AGSK3BRHOACSNK1A1
SCHEMBL3449535 0.84 RHOA (0.41) AURKAGSK3AGSK3BRHOAHDAC1
SCHEMBL3449530 0.84 RHOA (0.41) AURKAGSK3AGSK3BRHOAHDAC1

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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF ASTRAZENECA AB 2010-06-03 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-20100137313-A1 HETEROCYCLIC DERIVATIVES AND METHODS OF USE THEREOF SDHA, SDHB, UROD AURKA 3990/4885GSK3A 3194/4885GSK3B 2904/4885

“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.