SCHEMBL4042343

SCHEMBL4042343

Cc1noc2nc(C(NCCCNC(=O)OC(C)(C)C)C(C)C)n(Cc3ccc(F)cc3)c(=O)c12

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.38
POLB P06746 2/20 0.37
GAA P10253 1/20 0.37
GNRHR P30968 1/20 0.36
SLC26A6 Q9BXS9 1/20 0.36
BRD4 O60885 3/20 0.34
P2RX3 P56373 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PLK1 P53350 2/20 0.33
DYRK1A Q13627 1/20 0.33
LMNA P02545 1/20 0.33
STK17B O94768 1/20 0.32
STK17A Q9UEE5 1/20 0.32

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
SCHEMBL3871312 0.92 KIF11 (0.46) KIF11GNRHRSLC26A6BRD4SMN1; SMN2
SCHEMBL4059943 0.91 TSHR (0.39) KIF11POLBGNRHRSLC26A6BRD4
SCHEMBL4044893 0.85 KIF11 (0.42) KIF11POLBGAAGNRHRBRD4
SCHEMBL4044332 0.82 KIF11 (0.52) KIF11
SCHEMBL3901568 0.81 KIF11 (0.49) KIF11GNRHRSLC26A6BRD4SMN1; SMN2
SCHEMBL4218137 0.81 KIF11 (0.49) KIF11POLBGAAGNRHR
SCHEMBL4065655 0.81 KIF11 (0.43) KIF11POLBSLC26A6BRD4SMN1; SMN2
SCHEMBL13956802 0.78 KIF11 (0.46) KIF11GNRHRBRD4DYRK1A
SCHEMBL3863849 0.77 KIF11 (0.49) KIF11GAAGNRHRBRD4DYRK1A
SCHEMBL4061532 0.77 KIF11 (0.41) KIF11GNRHRBRD4PLK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601673-B1 FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2009-06-10 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-20060063751-A1 Novel fused heterocycles and uses thereof ASTRAZENECA AB (SE) 2006-03-23 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 (3 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 1978/4885POLB 2413/4885GAA 4453/4885
US-20080153854-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF RB1, CDK19, PRMT9 KIF11 1978/4885POLB 2413/4885GAA 4453/4885
US-20060270689-A1 Novel Fused Heterocycles and Uses Thereof BRCA1, CYP1B1, CCNI KIF11 3559/4885POLB 1916/4885GAA 4176/4885

“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.