SCHEMBL25802474

SCHEMBL25802474

CN(C)C1CN(Cc2ccc(NC(=O)Oc3ccccc3)cc2C(F)(F)F)C1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TMPRSS2 O15393 1/20 0.53
ABL1 P00519 6/20 0.49
SRC P12931 3/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
GFER P55789 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
BRAF P15056 1/20 0.45
KIT P10721 1/20 0.44
BCR P11274 2/20 0.44
RAD51 Q06609 1/20 0.42
MKNK2 Q9HBH9 2/20 0.42
MKNK1 Q9BUB5 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL29958932 1.00 TMPRSS2 (0.53) TMPRSS2ABL1SRCALDH1A1MAPT
SCHEMBL29958978 0.93 ABL1 (0.51) TMPRSS2ABL1SRCBRAFKIT
SCHEMBL25802478 0.93 ABL1 (0.51) TMPRSS2ABL1SRCBRAFKIT
SCHEMBL29959139 0.85 ABL1 (0.53) ABL1SRCALDH1A1MAPTMEN1
SCHEMBL2776874 0.85 ABL1 (0.53) ABL1SRCALDH1A1MAPTMEN1
SCHEMBL23326866 0.84 MKNK2 (0.58) ABL1SRCMAPTKMT2ABRAF
SCHEMBL2435253 0.84 ABL1 (0.65) ABL1SRCBRAFKITGAA
SCHEMBL29999023 0.84 MKNK2 (0.58) ABL1SRCMAPTKMT2ABRAF
Hydrochloric Acid SCHEMBL2435251 0.83 ABL1 (0.64) ABL1SRCBRAFKITGAA
SCHEMBL29958955 0.83 ABL1 (0.47) ABL1SRCALDH1A1MAPTKDM4E

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-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME Halia Therapeutics, Inc. 2023-07-06 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-20230210853-A1 TARGETED NEK7 INHIBITION FOR MODULATION OF THE NLRP3 INFLAMMASOME NEK7, NLRP3, NOD1 TMPRSS2 1015/4885ABL1 4556/4885SRC 3388/4885

“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.