SCHEMBL26629779

SCHEMBL26629779

CNC(=O)CC1(C)CNc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SLC6A3 Q01959 1/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PDK2 Q15119 1/20 0.35
PDK4 Q16654 1/20 0.35
ALDH1A1 P00352 2/20 0.35
OPRM1 P35372 1/20 0.35
OPRL1 P41146 1/20 0.35
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.34
BACE1 P56817 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL30309711 0.85 CYP2C19 (0.42) BRD4IDO1TDO2MAPTLMNA
SCHEMBL20505810 0.83 MAPT (0.43) BRD4IDO1TDO2MAPTLMNA
SCHEMBL29571912 0.83 MAPT (0.43) BRD4IDO1TDO2MAPTLMNA
SCHEMBL29651347 0.78 BRD4 (0.37) BRD4MAPTLMNANPSR1HTT
SCHEMBL20506223 0.78 BRD4 (0.37) BRD4MAPTLMNANPSR1HTT
SCHEMBL22864673 0.76 BRD4 (0.37) BRD4IDO1TDO2MAPTLMNA
SCHEMBL31378040 0.76 BRD4 (0.37) BRD4IDO1TDO2MAPTLMNA
SCHEMBL29571607 0.76 BRD4 (0.35) BRD4MAPTLMNANPSR1HTT
SCHEMBL20573837 0.76 BRD4 (0.35) BRD4MAPTLMNANPSR1HTT
SCHEMBL18381344 0.75 BRD4 (0.36) BRD4IDO1TDO2MAPTLMNA

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-20230339896-A1 HPK1 INHIBITORS AND USES THEREOF REGOR PHARMACEUTICALS, INC. 2023-10-26 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-20230339896-A1 HPK1 INHIBITORS AND USES THEREOF HIPK1, MAPKAPK5, MLKL BRD4 3072/4885IDO1 3823/4885TDO2 4460/4885

“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.