SCHEMBL22019959

SCHEMBL22019959

Cc1c2c(nc(C3CC3)c1C(C)C)CCC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ACHE P22303 1/20 0.32
MAPK1 P28482 1/20 0.32
BPTF Q12830 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
TSHR P16473 1/20 0.31
PKM P14618 1/20 0.30
CRHR1 P34998 1/20 0.30

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
SCHEMBL24871638 0.87 KDM4E (0.33) NPSR1KDM4EMEN1KMT2AACHE
SCHEMBL22020729 0.83 ACHE (0.46) KDM4EMEN1KMT2AACHEMAPK1
SCHEMBL24978542 0.83 CRHR1 (0.33) NPSR1KDM4EMEN1KMT2AACHE
SCHEMBL22020067 0.81 KDM4E (0.36) KDM4EMEN1KMT2AACHEMAPK1
SCHEMBL22019706 0.81 KDM4E (0.38) KDM4EMEN1KMT2AACHEMAPK1
SCHEMBL22019965 0.80 NPSR1 (0.31) NPSR1
SCHEMBL22020011 0.78 KDM4E (0.40) NPSR1KDM4EMEN1KMT2AACHE
SCHEMBL22020006 0.77 TSHR (0.34) NPSR1KDM4EMEN1KMT2AMAPK1
SCHEMBL22019707 0.76 KDM4E (0.37) KDM4EMEN1KMT2AACHEMAPK1
SCHEMBL22019776 0.74 KDM4E (0.33) KDM4EMEN1KMT2AACHEMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-02 US disclosed
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO 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-20230031406-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NPSR1 1195/4885KDM4E 4525/4885MEN1 3390/4885

“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.