SCHEMBL30486141

SCHEMBL30486141

CC1CN(C)CCN1Cc1ccc(NC(N)=O)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIT P10721 5/20 0.47
BRAF P15056 8/20 0.47
SRC P12931 2/20 0.46
EGFR P00533 7/20 0.45
ABL1 P00519 3/20 0.45
BCR P11274 1/20 0.44
DDR1 Q08345 1/20 0.44
DDR2 Q16832 1/20 0.44
CDK1 P06493 1/20 0.43
CDK2 P24941 1/20 0.43
CDK8 P49336 1/20 0.43
RET P07949 1/20 0.43

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
SCHEMBL20227773 0.82 KIT (0.65) KITBRAFSRCEGFRABL1
SCHEMBL29614753 0.82 KIT (0.65) KITBRAFSRCEGFRABL1
SCHEMBL27088026 0.80 NR1H2 (0.64) KITBRAFSRCEGFRCDK1
SCHEMBL30486126 0.79 KIT (0.43) KITBRAFSRCEGFRABL1
SCHEMBL30486106 0.79 KIT (0.44) KITBRAFSRCEGFRABL1
SCHEMBL29958951 0.78 DDR1 (0.49) KITBRAFSRCEGFRABL1
SCHEMBL30900112 0.78 CYP2C9 (0.52) KITBRAFSRCEGFRABL1
SCHEMBL16380144 0.76 RET (0.63) KITBRAFSRCEGFRABL1
SCHEMBL30486109 0.75 KIT (0.49) KITBRAFSRCABL1BCR
SCHEMBL27088034 0.75 KCNJ1 (0.43) CDK2

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 KIT 4277/4885BRAF 1615/4885SRC 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.