SCHEMBL2811244

SCHEMBL2811244

NC(=O)c1ccc(Nc2ccc(CNC(=O)C3(N)CC3)nc2)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
VNN1 O95497 2/20 0.39
HDAC1 Q13547 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
JAK3 P52333 4/20 0.37
KIT P10721 3/20 0.36
FLT3 P36888 3/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
PTK2 Q05397 6/20 0.34
CD38 P28907 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
SCHEMBL2777065 0.91 CNR2 (0.40) CNR2VNN1HDAC1HDAC8HDAC6
SCHEMBL2807472 0.89 P2RX7 (0.39) CNR2HDAC1HDAC6
Hydrochloric Acid SCHEMBL2805225 0.88 P2RX7 (0.39) CNR2HDAC1HDAC6
SCHEMBL2805697 0.87 RAB9A (0.41) CNR2
SCHEMBL2808542 0.87 CNR2 (0.41) CNR2KITFLT3PTK2
SCHEMBL2805256 0.85 BACE2 (0.42) CNR2VNN1JAK3
SCHEMBL13128618 0.84 BDKRB1 (0.39) CNR2VNN1HDAC1HDAC8HDAC6
Trifluoroacetic Acid SCHEMBL2813582 0.84 CNR2 (0.39) CNR2PTK2
Trifluoroacetic Acid SCHEMBL2809036 0.84 RAB9A (0.38) CNR2
SCHEMBL2811328 0.82 MEN1 (0.40)

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 CNR2 882/4885VNN1 3094/4885HDAC1 1428/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 CNR2 882/4885VNN1 3094/4885HDAC1 1428/4885

“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.