SCHEMBL2809694

SCHEMBL2809694

CC(NC(=O)C1(NC(=O)O)CC1)c1ccc(Nc2c(F)cccc2C(F)(F)F)cn1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 17/20 0.40
PTGS2 P35354 1/20 0.36
JAK1 P23458 2/20 0.34
JAK3 P52333 2/20 0.34
JAK2 O60674 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
SCHEMBL2812643 0.88 BDKRB1 (0.45) BDKRB1
SCHEMBL2808238 0.87 BDKRB1 (0.47) BDKRB1PTGS2
SCHEMBL2808577 0.86 JAK1 (0.38) BDKRB1PTGS2JAK1JAK3JAK2
SCHEMBL14856870 0.86 BDKRB1 (0.38) BDKRB1
Hydrochloric Acid SCHEMBL27853574 0.85 JAK1 (0.37) BDKRB1PTGS2JAK1JAK3JAK2
SCHEMBL2809275 0.85 BDKRB1 (0.40) BDKRB1
SCHEMBL14856699 0.83 KIT (0.39) PTGS2JAK1JAK3JAK2
SCHEMBL13159877 0.82 BDKRB1 (0.33) BDKRB1JAK1JAK3JAK2
SCHEMBL2839198 0.82 FLT4 (0.37) BDKRB1PTGS2JAK1JAK3JAK2
SCHEMBL27870363 0.77 PTGS2 (0.42) PTGS2JAK1JAK3JAK2

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 BDKRB1 289/4885PTGS2 3027/4885JAK1 936/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 BDKRB1 289/4885PTGS2 3027/4885JAK1 936/4885

“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.