SCHEMBL4040581

SCHEMBL4040581

CCCCNC(CC)c1nc2onc(C)c2c(=O)n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 2/20 0.37
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37
SLC26A6 Q9BXS9 2/20 0.37
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DCTPP1 Q9H773 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
UTS2R Q9UKP6 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL4040410 0.93 KIF11 (0.60) KIF11SMN1; SMN2HPGD
SCHEMBL5790991 0.88 KIF11 (0.49) KIF11SMN1; SMN2MAPTPOLBHPGD
SCHEMBL5899066 0.87 KIF11 (0.54) KIF11SMN1; SMN2POLBHPGDSLC26A6
SCHEMBL3901568 0.85 KIF11 (0.49) KIF11SMN1; SMN2MAPTSLC26A6NPSR1
SCHEMBL3875862 0.81 KIF11 (0.56) KIF11SMN1; SMN2MAPTPOLBHPGD
SCHEMBL5898996 0.81 KIF11 (0.58) KIF11SMN1; SMN2MAPTPOLBHPGD
SCHEMBL5787757 0.81 KIF11 (0.51) KIF11SMN1; SMN2POLBHPGDSLC26A6
SCHEMBL6208538 0.79 PDE4A (0.51) KIF11SMN1; SMN2MAPTPOLBTP53
SCHEMBL5899045 0.79 KIF11 (0.51) KIF11SMN1; SMN2POLBHPGDSLC26A6
SCHEMBL3888693 0.77 KIF11 (0.51) KIF11SMN1; SMN2MAPTPOLBHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US claimed
EP-1546150-A1 BIOLOGICALLY ACTIVE COMPOUNDS Amura Therapeutics Limited (GB) 2005-06-29 EP claimed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 WO claimed
EP-1601673-B1 FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2009-06-10 EP disclosed
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP disclosed
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20060270689-A1 Novel Fused Heterocycles and Uses Thereof ASTRAZENECA AB (SE) 2006-11-30 US disclosed
US-20060100431-A1 Biologically active compounds AMURA THERAPEUTICS LIMITED (GB) 2006-05-11 US disclosed
US-20060063751-A1 Novel fused heterocycles and uses thereof ASTRAZENECA AB (SE) 2006-03-23 US disclosed
EP-1601673-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF AstraZeneca AB (SE) 2005-12-07 EP disclosed
WO-2004078758-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-16 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-20060063751-A1 Novel fused heterocycles and uses thereof RB1, CDK19, PRMT9 KIF11 1978/4885SMN1; SMN2 2764/4885MAPT 4736/4885
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF RB1, CDK19, PRMT9 KIF11 1978/4885SMN1; SMN2 2764/4885MAPT 4736/4885
US-20060100431-A1 Biologically active compounds SOST, CTSK, CTSS KIF11 4462/4885SMN1; SMN2 3546/4885MAPT 3367/4885
US-20060270689-A1 Novel Fused Heterocycles and Uses Thereof BRCA1, CYP1B1, CCNI KIF11 3559/4885SMN1; SMN2 2206/4885MAPT 4713/4885

“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.