SCHEMBL4060901

SCHEMBL4060901

Cc1noc2nc(C(Br)C(C)C)n(Cc3cccc(F)c3)c(=O)c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
SLC26A6 Q9BXS9 1/20 0.42
BRD4 O60885 1/20 0.41
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
THRB P10828 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
PDE1A P54750 1/20 0.37
PDE1B Q01064 1/20 0.37

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
SCHEMBL4058305 0.88 KIF11 (0.44) KIF11SLC26A6BRD4MAPTALDH1A1
SCHEMBL4043250 0.88 KIF11 (0.42) KIF11SLC26A6ALDH1A1HPGDKDM4E
SCHEMBL3888693 0.88 KIF11 (0.51) KIF11SLC26A6BRD4MAPTALDH1A1
SCHEMBL4059248 0.82 SLC26A6 (0.43) KIF11SLC26A6BRD4MAPTALDH1A1
SCHEMBL5237790 0.81 SLC26A6 (0.41) KIF11SLC26A6BRD4MAPTALDH1A1
SCHEMBL4060564 0.80 KIF11 (0.46) KIF11MAPTALDH1A1HPGDTHRB
SCHEMBL4065655 0.79 KIF11 (0.43) KIF11SLC26A6BRD4MAPTALDH1A1
SCHEMBL5234446 0.79 BRD4 (0.42) KIF11SLC26A6BRD4MAPTALDH1A1
SCHEMBL4046482 0.76 KIF11 (0.44) KIF11SLC26A6ALDH1A1HPGDKDM4E
SCHEMBL3866876 0.75 KIF11 (0.68) KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781673-B1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20070249636-A1 Selected Fused Heterocyclics and Uses Thereof ASTRAZENECA AB (SE) 2007-10-25 US disclosed
EP-1781673-A1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF AstraZeneca AB (SE) 2007-05-09 EP disclosed
US-20060063751-A1 Novel fused heterocycles and uses thereof ASTRAZENECA AB (SE) 2006-03-23 US disclosed
US-20060041128-A1 Selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2006-02-23 US disclosed
WO-2006018627-A1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2006-02-23 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 (4 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-20070249636-A1 Selected Fused Heterocyclics and Uses Thereof SDHA, CYP11B2, NQO1 KIF11 2056/4885SLC26A6 3572/4885BRD4 607/4885
US-20060063751-A1 Novel fused heterocycles and uses thereof RB1, CDK19, PRMT9 KIF11 1978/4885SLC26A6 4583/4885BRD4 245/4885
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF RB1, CDK19, PRMT9 KIF11 1978/4885SLC26A6 4583/4885BRD4 245/4885
US-20060041128-A1 Selected fused heterocyclics and uses thereof SDHA, CYP11B2, NQO1 KIF11 2056/4885SLC26A6 3572/4885BRD4 607/4885

“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.