SCHEMBL2053933

SCHEMBL2053933

CCCC(C(=O)OC)c1c(C)nc2cc(C(C)(C)C)nn2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
LTK P29376 1/20 0.41
CSNK1A1 P48729 1/20 0.41
CDK8 P49336 1/20 0.41
CLK2 P49760 1/20 0.41
CDK5 Q00535 1/20 0.41
ACVR1 Q04771 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
KDM4E B2RXH2 1/20 0.35
DPP4 P27487 1/20 0.34
DPP9 Q86TI2 1/20 0.34
PSIP1 O75475 3/20 0.33
CNR1 P21554 4/20 0.32
CNR2 P34972 4/20 0.32
MAPK14 Q16539 1/20 0.32
GRN P28799 1/20 0.31

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
SCHEMBL2054006 0.91 AURKA (0.41) AURKACSF1RRETLTKCSNK1A1
SCHEMBL2051771 0.89 AURKA (0.39) AURKACSF1RRETLTKCSNK1A1
SCHEMBL2040817 0.86 PSIP1 (0.42) AURKACSF1RRETLTKCSNK1A1
SCHEMBL2051121 0.85 PSIP1 (0.48) AURKACSF1RRETLTKCSNK1A1
SCHEMBL2042565 0.85 CRHR1 (0.38) AURKACSF1RRETLTKCSNK1A1
SCHEMBL2039818 0.84 PSIP1 (0.34) MAPTPOLBKDM4EPSIP1
SCHEMBL2048511 0.84 PSIP1 (0.47) AURKACSF1RRETLTKCSNK1A1
SCHEMBL2052108 0.84 GRN (0.39) AURKACSF1RRETLTKCSNK1A1
SCHEMBL2042487 0.84 PSIP1 (0.41) AURKACSF1RRETLTKCSNK1A1
SCHEMBL2042630 0.83 DPP4 (0.36) AURKACSF1RRETLTKCSNK1A1

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-2516008-B1 NOVEL ANTIVIRAL COMPOUNDS UNIV LEUVEN KATH (BE) 2014-04-16 EP disclosed
US-20120316161-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-12-13 US disclosed
EP-2516008-A1 NOVEL ANTIVIRAL COMPOUNDS Katholieke Universiteit Leuven (BE) 2012-10-31 EP disclosed
WO-2011076765-A1 NOVEL ANTIVIRAL COMPOUNDS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-06-30 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 (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-20120316161-A1 NOVEL ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 AURKA 2631/4885CSF1R 3351/4885RET 4859/4885

“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.