SCHEMBL25802478

SCHEMBL25802478

CN(C)C1CCN(Cc2ccc(NC(=O)Oc3ccccc3)cc2C(F)(F)F)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 8/20 0.51
CSK P41240 2/20 0.48
MAPK14 Q16539 2/20 0.48
DDR1 Q08345 4/20 0.47
TMPRSS2 O15393 1/20 0.47
BCR P11274 4/20 0.47
LYN P07948 3/20 0.47
BRAF P15056 2/20 0.47
RIPK2 O43353 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47
ARAF P10398 1/20 0.47
NQO2 P16083 1/20 0.47
EPHA2 P29317 1/20 0.47
EPHB2 P29323 1/20 0.47
ABL2 P42684 1/20 0.47
FRK P42685 1/20 0.47
MAPKAPK2 P49137 1/20 0.47

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
SCHEMBL29958978 1.00 ABL1 (0.51) ABL1CSKMAPK14DDR1TMPRSS2
SCHEMBL29958932 0.93 TMPRSS2 (0.53) ABL1TMPRSS2BCRBRAFKIT
SCHEMBL25802474 0.93 TMPRSS2 (0.53) ABL1TMPRSS2BCRBRAFKIT
SCHEMBL25292427 0.86 ABL1 (0.54) ABL1CSKMAPK14DDR1TMPRSS2
SCHEMBL29959139 0.84 ABL1 (0.53) ABL1BCRBRAFRETKIT
SCHEMBL2776874 0.84 ABL1 (0.53) ABL1BCRBRAFRETKIT
SCHEMBL17515254 0.84 DDR1 (0.53) ABL1CSKMAPK14DDR1TMPRSS2
SCHEMBL2435253 0.84 ABL1 (0.65) ABL1BRAFKITSRC
SCHEMBL29999023 0.84 MKNK2 (0.58) ABL1CSKMAPK14DDR1BCR
SCHEMBL23326866 0.84 MKNK2 (0.58) ABL1CSKMAPK14DDR1BCR

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 ABL1 4556/4885CSK 1068/4885MAPK14 717/4885

“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.