SCHEMBL25802425

SCHEMBL25802425

O=C(Nc1ccc(CN2CCOCC2)c(C(F)(F)F)c1)Oc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 4/20 0.51
KDR P35968 2/20 0.49
BRAF P15056 2/20 0.48
KIT P10721 2/20 0.48
SRC P12931 1/20 0.48
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK14 Q16539 1/20 0.47
FGFR1 P11362 1/20 0.47
BCR P11274 2/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
CCNC P24863 1/20 0.46
CDK8 P49336 1/20 0.46
GAA P10253 1/20 0.46
MKNK2 Q9HBH9 2/20 0.45
MKNK1 Q9BUB5 1/20 0.45
HPGD P15428 1/20 0.45
EPHX2 P34913 1/20 0.45
CYP2C9 P11712 1/20 0.44

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
SCHEMBL29958947 1.00 ABL1 (0.51) ABL1KDRBRAFKITSRC
SCHEMBL29959139 0.91 ABL1 (0.53) ABL1KDRBRAFKITSRC
SCHEMBL2776874 0.91 ABL1 (0.53) ABL1KDRBRAFKITSRC
SCHEMBL23326866 0.88 MKNK2 (0.58) ABL1KDRBRAFKITSRC
SCHEMBL2435253 0.88 ABL1 (0.65) ABL1BRAFKITSRCCDK8
SCHEMBL29999023 0.88 MKNK2 (0.58) ABL1KDRBRAFKITSRC
Hydrochloric Acid SCHEMBL2435251 0.87 ABL1 (0.64) ABL1BRAFKITSRCCDK8
SCHEMBL25802416 0.86 ALDH1A1 (0.50) MAPTALDH1A1CNR1CNR2GAA
SCHEMBL29958955 0.84 ABL1 (0.47) ABL1KDRBRAFKITSRC
SCHEMBL29958932 0.82 TMPRSS2 (0.53) ABL1BRAFKITSRCMAPT

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 4556/4885KDR 4751/4885BRAF 1615/4885

“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.