SCHEMBL21579396

SCHEMBL21579396

CCC(F)(F)c1ccnc(NC(=O)c2ncc(Br)cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRM5 P41594 4/20 0.39
SORT1 Q99523 2/20 0.38
RIOK2 Q9BVS4 1/20 0.38
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
AR P10275 1/20 0.37
EPAS1 Q99814 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37
MAP3K5 Q99683 1/20 0.36
BACE1 P56817 2/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
IDH2 P48735 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL21579349 0.91 ALDH1A1 (0.39) ALDH1A1GAAL3MBTL1GRM5SORT1
SCHEMBL20177031 0.86 GRM5 (0.49) ALDH1A1GAAL3MBTL1GRM5SORT1
SCHEMBL21579345 0.84 CCNA2 (0.48) ALDH1A1GAAL3MBTL1GRM5SORT1
SCHEMBL21579432 0.75 CCNA2 (0.47) GRM5NPC1RAB9ABRAFMAP3K5
SCHEMBL15877592 0.73 GRM5 (0.48) ALDH1A1GAAL3MBTL1GRM5SORT1
SCHEMBL21579348 0.70 NPC1 (0.62) GAAL3MBTL1GRM5SORT1NPC1
SCHEMBL21579386 0.70 NPC1 (0.48) GRM5SORT1NPC1RAB9ABRAF
SCHEMBL16594252 0.69 GRM5 (0.53) GRM5SORT1RIOK2BRAF
SCHEMBL30050714 0.69 GRM5 (0.53) GRM5SORT1RIOK2BRAF
SCHEMBL20016544 0.69 DEGS1 (0.50) ALDH1A1GAAL3MBTL1GRM5SORT1

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 1 patent. 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

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 ALDH1A1 3977/4885GAA 2173/4885L3MBTL1 593/4885

“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.