SCHEMBL2805256

SCHEMBL2805256

N#Cc1ccc(Nc2ccc(CNC(=O)C3(N)CC3)nc2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE2 Q9Y5Z0 1/20 0.42
CNR2 P34972 5/20 0.37
VNN1 O95497 1/20 0.36
RORC P51449 1/20 0.36
JAK1 P23458 2/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
AR P10275 1/20 0.34
PRMT3 O60678 1/20 0.34
PRKAA2 P54646 1/20 0.34
TMPRSS4 Q9NRS4 1/20 0.33
TBXA2R P21731 1/20 0.33
TNF P01375 1/20 0.33
TRPA1 O75762 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
SCHEMBL2780094 0.90 BACE2 (0.40) BACE2CNR2VNN1RORCJAK1
SCHEMBL2807472 0.88 P2RX7 (0.39) CNR2TRPA1
Hydrochloric Acid SCHEMBL2805225 0.87 P2RX7 (0.39) CNR2TRPA1
SCHEMBL2805697 0.86 RAB9A (0.41) CNR2
SCHEMBL2808542 0.86 CNR2 (0.41) CNR2RORCTRPA1
SCHEMBL2811244 0.85 CNR2 (0.41) CNR2VNN1JAK3
SCHEMBL13128612 0.83 BDKRB1 (0.38) BACE2CNR2VNN1RORCJAK1
Trifluoroacetic Acid SCHEMBL2809036 0.83 RAB9A (0.38) CNR2RORC
Trifluoroacetic Acid SCHEMBL2813582 0.83 CNR2 (0.39) CNR2RORC
SCHEMBL2811328 0.80 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 BACE2 4192/4885CNR2 882/4885VNN1 3094/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BACE2 4192/4885CNR2 882/4885VNN1 3094/4885

“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.