SCHEMBL22358285

SCHEMBL22358285

CC(C)(C)C(=O)N1CC2(CC(c3noc(-c4ccc5cnn(C6COC6)c5c4)n3)C2)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.35
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
USP30 Q70CQ3 1/20 0.34
PIK3CD O00329 3/20 0.33
TBK1 Q9UHD2 5/20 0.33
SCD5 Q86SK9 1/20 0.32
USP7 Q93009 1/20 0.32
NR1H4 Q96RI1 2/20 0.31
SOS1 Q07889 1/20 0.31
IDO1 P14902 1/20 0.31
CCR6 P51684 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
SCHEMBL20676590 0.90 TBK1 (0.41) KITWNT1GSK3BDYRK1AUSP30
SCHEMBL22358345 0.89 KIT (0.37) KITWNT1GSK3BDYRK1AUSP30
SCHEMBL20676660 0.87 USP7 (0.41) KITUSP30PIK3CDTBK1USP7
SCHEMBL20116173 0.81 USP30 (0.39) KITUSP30PIK3CDTBK1SCD5
SCHEMBL20116320 0.80 USP30 (0.45) USP30TBK1SCD5
SCHEMBL20116980 0.79 USP30 (0.40) KITUSP30PIK3CDSCD5USP7
SCHEMBL20117073 0.79 USP7 (0.40) KITWNT1GSK3BDYRK1AUSP30
SCHEMBL20116041 0.78 GPR119 (0.49) USP30TBK1USP7
SCHEMBL20116521 0.78 USP7 (0.38) KITUSP30PIK3CDTBK1USP7
SCHEMBL20116089 0.78 SMO (0.42) KITUSP30PIK3CDTBK1USP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-11873298-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-01-16 US disclosed
US-20200262828-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2020-08-20 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 (2 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-11873298-B2 Compounds and uses thereof NLN, ACHE, CLN6 KIT 4491/4885WNT1 4223/4885GSK3B 741/4885
US-20200262828-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KIT 4491/4885WNT1 4223/4885GSK3B 741/4885

“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.