SCHEMBL2806663

SCHEMBL2806663

O=C(Cc1ccccn1)NC1(C(=O)NCc2ccc(Nc3ccccc3C(F)(F)F)cc2)CCOC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
AURKA O14965 1/20 0.36
CRACR2A Q9BSW2 1/20 0.36
P2RX7 Q99572 3/20 0.35
MAPK1 P28482 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
HDAC1 Q13547 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
NAMPT P43490 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
SCHEMBL13128459 1.00 LMNA (0.40) LMNAAURKACRACR2AP2RX7MAPK1
SCHEMBL185692 0.86 LMNA (0.39) LMNAAURKACRACR2AP2RX7MAPK1
SCHEMBL2805811 0.86 NAMPT (0.42) LMNACRACR2AGAANAMPT
SCHEMBL2811096 0.82 NAMPT (0.41) AURKANAMPT
SCHEMBL2811098 0.82 NAMPT (0.41) AURKANAMPT
SCHEMBL2809658 0.81 CYP1A2 (0.39) AURKARAB9ANPC1GAANAMPT
SCHEMBL2804848 0.81 BDKRB1 (0.38) AURKACTDSP1HDAC1
SCHEMBL13128468 0.81 BDKRB1 (0.38) AURKACTDSP1NAMPT
SCHEMBL13128481 0.81 CTDSP1 (0.35) AURKAP2RX7CTDSP1NAMPT
SCHEMBL2805157 0.81 AURKA (0.39) LMNAAURKAP2RX7CTDSP1HDAC1

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 LMNA 2613/4885AURKA 3494/4885CRACR2A 3885/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 LMNA 2613/4885AURKA 3494/4885CRACR2A 3885/4885

“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.