SCHEMBL22540909

SCHEMBL22540909

CC(C)NC(=O)c1cc(C(C)C)nc(C(F)(F)F)n1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
PDE2A O00408 13/20 0.39
MLYCD O95822 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CRHBP P24387 1/20 0.39
CYP2C19 P33261 1/20 0.39
CRHR2 Q13324 1/20 0.39
HDAC4 P56524 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL23023554 0.84 CBLB (0.45) NPSR1PDE2AMLYCDHDAC4
SCHEMBL22550925 0.83 HDAC4 (0.37) PDE2ACYP3A4CYP2D6TSHRCRHBP
SCHEMBL22540948 0.80 CYP3A4 (0.38) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL6120983 0.77 CYP1A2 (0.43) NPSR1MLYCDKDM4EALDH1A1HPGD
SCHEMBL18068094 0.75 CYP3A4 (0.50) CYP3A4CYP2D6TSHRCRHBPCYP2C19
SCHEMBL22924538 0.75 CBLB (0.45) NPSR1MLYCDCYP3A4HDAC4KDM4E
SCHEMBL22550861 0.73 NPSR1 (0.44) NPSR1PDE2AMLYCDCYP3A4CYP2D6
SCHEMBL22550831 0.72 PDE2A (0.42) PDE2ATSHR
SCHEMBL22540918 0.72 NPSR1 (0.46) NPSR1PDE2AMLYCDHDAC4KDM4E
SCHEMBL24028582 0.70 NPSR1 (0.43) NPSR1PDE2AMLYCDTSHRCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230355599-A1 BIOMARKERS FOR CBL, AND COMPOSITIONS AND METHODS FOR THEIR USE NURIX THERAPEUTICS, INC. 2023-11-09 US disclosed
US-20230355599-A1 BIOMARKERS FOR CBL, AND COMPOSITIONS AND METHODS FOR THEIR USE NURIX THERAPEUTICS, INC. 2023-11-09 US disclosed
US-20230212186-A1 CYANO CYCLOBUTYL COMPOUNDS FOR CBL-B INHIBITION AND USES THEREOF NURIX THERAPEUTICS, INC. 2023-07-06 US disclosed
US-20230212186-A1 CYANO CYCLOBUTYL COMPOUNDS FOR CBL-B INHIBITION AND USES THEREOF NURIX THERAPEUTICS, INC. 2023-07-06 US disclosed
US-20230150991-A1 SUBSTITUTED BENZYL-TRIAZOLE COMPOUNDS FOR CBL-B INHIBITION, AND FURTHER USES THEREOF NURIX THERAPEUTICS, INC. 2023-05-18 US disclosed
US-20230150991-A1 SUBSTITUTED BENZYL-TRIAZOLE COMPOUNDS FOR CBL-B INHIBITION, AND FURTHER USES THEREOF NURIX THERAPEUTICS, INC. 2023-05-18 US disclosed
US-11530229-B2 Cyano cyclobutyl compounds for CBL-B inhibition and uses thereof NURIX THERAPEUTICS, INC. (US) 2022-12-20 US disclosed
US-20210053986-A1 CYANO CYCLOBUTYL COMPOUNDS FOR CBL-B INHIBITION AND USES THEREOF NURIX THERAPEUTICS, INC. 2021-02-25 US disclosed
US-20210053961-A1 SUBSTITUTED BENZYL-TRIAZOLE COMPOUNDS FOR CBL-B INHIBITION, AND FURTHER USES THEREOF NURIX THERAPEUTICS, INC. 2021-02-25 US disclosed
US-20200323904-A1 3-SUBSTITUTED PIPERIDINE COMPOUNDS FOR CBL-B INHIBITION, AND USE OF A CBL-B INHIBITOR IN COMBINATION WITH A CANCER VACCINE AND/OR ONCOLYTIC VIRUS NURIX THERAPEUTICS, INC. 2020-10-15 US disclosed
WO-2020210508-A1 3-SUBSTITUTED PIPERIDINE COMPOUNDS FOR CBL-B INHIBITION, AND USE OF A CBL-B INHIBITOR IN COMBINATION WITH A CANCER VACCINE AND/OR ONCOLYTIC VIRUS NURIX THERAPEUTICS, INC. (US) 2020-10-15 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 (7 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-20210053986-A1 CYANO CYCLOBUTYL COMPOUNDS FOR CBL-B INHIBITION AND USES THEREOF CBLB, CBL, CBLC NPSR1 4801/4885PDE2A 4241/4885MLYCD 928/4885
US-20230150991-A1 SUBSTITUTED BENZYL-TRIAZOLE COMPOUNDS FOR CBL-B INHIBITION, AND FURTHER USES THEREOF CBL, CBLB, CBLC NPSR1 4823/4885PDE2A 4333/4885MLYCD 1830/4885
US-20230355599-A1 BIOMARKERS FOR CBL, AND COMPOSITIONS AND METHODS FOR THEIR USE CBL, CBLB, CBLC NPSR1 4483/4885PDE2A 4622/4885MLYCD 3230/4885
US-11530229-B2 Cyano cyclobutyl compounds for CBL-B inhibition and uses thereof CBLB, CBL, CBLC NPSR1 4801/4885PDE2A 4241/4885MLYCD 928/4885
US-20210053961-A1 SUBSTITUTED BENZYL-TRIAZOLE COMPOUNDS FOR CBL-B INHIBITION, AND FURTHER USES THEREOF CBL, CBLB, CBLC NPSR1 4823/4885PDE2A 4333/4885MLYCD 1830/4885
US-20230212186-A1 CYANO CYCLOBUTYL COMPOUNDS FOR CBL-B INHIBITION AND USES THEREOF CBLB, CBL, CBLC NPSR1 4801/4885PDE2A 4241/4885MLYCD 928/4885
US-20200323904-A1 3-SUBSTITUTED PIPERIDINE COMPOUNDS FOR CBL-B INHIBITION, AND USE OF A CBL-B INHIBITOR IN COMBINATION WITH A CANCER VACCINE AND/OR ONCOLYTIC VIRUS CBLB, CBL, CBLC NPSR1 4739/4885PDE2A 3801/4885MLYCD 2075/4885

“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.