SCHEMBL25067090

SCHEMBL25067090

Cc1nn(C)c(C)c1C(C)(C)N

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
GAA P10253 3/20 0.32
ALDH1A1 P00352 2/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
TSHR P16473 2/20 0.31
CHEK1 O14757 1/20 0.31
DAPK3 O43293 1/20 0.31
GRK5 P34947 1/20 0.31
LIMK1 P53667 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL19592950 0.78 KDM4E (0.35) KDM4EGAAALDH1A1LMNA
SCHEMBL19491725 0.74 KDM4E (0.35) KDM4EGAAALDH1A1LMNA
SCHEMBL7378481 0.72 KDM4E (0.42) KDM4EGAAALDH1A1TSHRDAPK3
SCHEMBL18935498 0.71 KDM4E (0.33) KDM4EGAALMNA
SCHEMBL1559796 0.65
SCHEMBL12138138 0.65 ADORA2A (0.32) ADORA2AADORA2B
SCHEMBL77248 0.64
SCHEMBL21721506 0.64 ADORA2A (0.31) ADORA2AADORA2B
SCHEMBL21718618 0.64
SCHEMBL21720329 0.64

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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 KDM4E 4478/4885GAA 1423/4885ALDH1A1 2123/4885

“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.