SCHEMBL25796945

SCHEMBL25796945

CC(C)c1cc(CN2CCN(C)CC2)no1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
MC4R P32245 1/20 0.40
BRD4 O60885 1/20 0.39
ALK Q9UM73 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 5/20 0.38
AURKA O14965 2/20 0.38
KCNH2 Q12809 2/20 0.38
AURKB Q96GD4 1/20 0.38
AURKC Q9UQB9 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.37
CHKA P35790 1/20 0.37

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
SCHEMBL13559779 0.79 AURKA (0.53) MC4RBRD4ALDH1A1KDM4EAURKA
SCHEMBL25910304 0.78 KDM4E (0.38) HSP90AA1HSP90AB1MC4RBRD4ALDH1A1
SCHEMBL21906804 0.78 MAPT (0.46) ALDH1A1KDM4ELMNAMAPT
SCHEMBL23966768 0.77 SMN1; SMN2 (0.39) ALDH1A1
SCHEMBL23966744 0.77 MC4R (0.40) HSP90AA1HSP90AB1MC4RBRD4ALK
SCHEMBL23966710 0.75 KDM4E (0.46) MC4RBRD4ALKALDH1A1KDM4E
SCHEMBL21158717 0.72 RET (0.40)
SCHEMBL10271203 0.70 SMN1; SMN2 (0.43) ALDH1A1
SCHEMBL20325477 0.69 AURKA (0.45) BRD4ALDH1A1KDM4EAURKAKCNH2
SCHEMBL20325711 0.69 MC4R (0.46) MC4RALDH1A1KDM4EHRH4TDP1

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 HSP90AA1 1116/4885HSP90AB1 753/4885MC4R 3973/4885

“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.