SCHEMBL2806970

SCHEMBL2806970

O=C(NC1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CCOC1)c1ccnc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.39
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
BDKRB1 P46663 1/20 0.36
P2RX7 Q99572 2/20 0.35
CNR2 P34972 3/20 0.35
MYC P01106 1/20 0.35
MAX P61244 1/20 0.35
LMNA P02545 1/20 0.34
SCD O00767 4/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
WDR5 P61964 1/20 0.33

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
SCHEMBL2806967 1.00 AURKA (0.39) AURKACTNNB1TCF7L2BDKRB1P2RX7
SCHEMBL2805157 0.91 AURKA (0.39) AURKABDKRB1P2RX7MYCMAX
SCHEMBL2805158 0.91 AURKA (0.39) AURKABDKRB1P2RX7MYCMAX
SCHEMBL2811894 0.91 AURKA (0.39) AURKABDKRB1CNR2MYCMAX
SCHEMBL2811891 0.91 AURKA (0.39) AURKABDKRB1CNR2MYCMAX
SCHEMBL2811098 0.89 NAMPT (0.41) AURKABDKRB1MYCMAX
SCHEMBL2811096 0.89 NAMPT (0.41) AURKABDKRB1MYCMAX
SCHEMBL2808664 0.89 BDKRB1 (0.40) AURKABDKRB1CNR2MYCMAX
SCHEMBL2808667 0.89 BDKRB1 (0.40) AURKABDKRB1CNR2MYCMAX
SCHEMBL13128468 0.87 BDKRB1 (0.38) AURKABDKRB1MYCMAXSCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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 (2 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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 AURKA 3494/4885CTNNB1 2804/4885TCF7L2 4451/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 AURKA 3494/4885CTNNB1 2804/4885TCF7L2 4451/4885

“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.