SCHEMBL20848461

SCHEMBL20848461

CC(C)Nc1n[nH]c(=O)[nH]1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BTK Q06187 1/20 0.39
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
HTT P42858 2/20 0.35
GLA P06280 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
POLB P06746 1/20 0.30
GAA P10253 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
SCHEMBL24255876 0.74 KDM4E (0.45) KDM4EALDH1A1BTKCSNK2A2CSNK2B
SCHEMBL92519 0.73
SCHEMBL23225408 0.68 GLA (0.34) TSHRGLA
SCHEMBL24058694 0.68
SCHEMBL28195765 0.65
SCHEMBL25131028 0.64 TSHR (0.57) TSHRKDM4EALDH1A1BTKHTT
SCHEMBL16706274 0.62 CSNK2A2 (0.35) KDM4EALDH1A1CSNK2A2CSNK2BCSNK2A1
SCHEMBL9900356 0.61 KDM4E (0.38) KDM4EALDH1A1CSNK2A2CSNK2BCSNK2A1
SCHEMBL12569187 0.61 GAA (0.34) KDM4EALDH1A1CSNK2A2CSNK2BCSNK2A1
SCHEMBL8471071 0.60

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-10752639-B2 Bridged bicyclic inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2020-08-25 US disclosed
US-20190092783-A1 BRIDGED BICYCLIC INHIBITORS OF MENIN-MLL AND METHODS OF USE KURA ONCOLOGY, INC. (US) 2019-03-28 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-10752639-B2 Bridged bicyclic inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 TSHR 4645/4885KDM4E 82/4885ALDH1A1 3453/4885
US-20190092783-A1 BRIDGED BICYCLIC INHIBITORS OF MENIN-MLL AND METHODS OF USE MLLT1, MEN1, BMI1 TSHR 4704/4885KDM4E 179/4885ALDH1A1 4244/4885

“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.