SCHEMBL20177031

SCHEMBL20177031

O=C(Nc1cc(C(F)(F)F)ccn1)c1ncc(Br)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.49
SORT1 Q99523 2/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CASP1 P29466 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
RIOK2 Q9BVS4 1/20 0.46
DYRK1A Q13627 1/20 0.45
EPAS1 Q99814 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NR3C2 P08235 2/20 0.43
AR P10275 1/20 0.42
KDR P35968 1/20 0.42
CLK2 P49760 1/20 0.42
IRAK1 P51617 1/20 0.42
NEK4 P51957 1/20 0.42
MAP4K2 Q12851 1/20 0.42

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
SCHEMBL21579396 0.86 ALDH1A1 (0.40) GRM5SORT1RIOK2DYRK1AEPAS1
SCHEMBL15877592 0.85 GRM5 (0.48) GRM5SORT1ALOX15TSHRCASP1
SCHEMBL21579349 0.84 ALDH1A1 (0.39) GRM5SORT1ALOX15TSHRCASP1
SCHEMBL30050714 0.82 GRM5 (0.53) GRM5SORT1ALOX15TSHRCASP1
SCHEMBL16594252 0.82 GRM5 (0.53) GRM5SORT1ALOX15TSHRCASP1
SCHEMBL25273596 0.78 SORT1 (0.53) GRM5SORT1RIOK2EPAS1ALDH1A1
SCHEMBL25228511 0.78 SORT1 (0.50) GRM5SORT1ALOX15TSHRCASP1
SCHEMBL30595899 0.78 SORT1 (0.50) GRM5SORT1ALOX15TSHRCASP1
SCHEMBL14637092 0.77 SORT1 (0.52) GRM5SORT1RIOK2EPAS1L3MBTL1
SCHEMBL15878523 0.77 SORT1 (0.58) GRM5SORT1EPAS1ALDH1A1GAA

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-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2019-11-21 US disclosed
WO-2018092047-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE JOINT STOCK COMPANY "BIOCAD" (RU) 2018-05-24 WO 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 (1 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-20190352276-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, ABL1, CNKSR1 GRM5 3806/4885SORT1 4659/4885ALOX15 4365/4885

“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.