SCHEMBL23570845

SCHEMBL23570845

CC(C)(C)C1CC(NC(=O)CC#N)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
MCL1 Q07820 4/20 0.42
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 1/20 0.36
EPHX1 P07099 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MAPT P10636 2/20 0.33
HSD11B1 P28845 1/20 0.33
RORC P51449 2/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOD2 Q9HC29 1/20 0.32

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
SCHEMBL6324524 0.85 KMT2A (0.63) KMT2AMCL1GAAPOLBTDP1
SCHEMBL26140323 0.78 FASN (0.40) KMT2ACYP3A4EPHX1MAPTHSD11B1
SCHEMBL24658372 0.77 KMT2A (0.57) KMT2AMCL1GAAPOLBTDP1
SCHEMBL24658468 0.76 KMT2A (0.51) KMT2AMCL1GAAPOLBTDP1
SCHEMBL1963069 0.75
SCHEMBL12424282 0.72 KMT2A (0.60) KMT2AMCL1GAAPOLBTDP1
SCHEMBL15797043 0.72 KMT2A (0.70) KMT2AMCL1GAAPOLBTDP1
SCHEMBL6322623 0.72 KMT2A (0.70) KMT2AMCL1GAAPOLBTDP1
SCHEMBL14654974 0.71 KMT2A (0.69) KMT2AMCL1GAAPOLBTDP1
SCHEMBL25018678 0.71 ATM (0.50) KMT2AALDH1A1EPHX1KDM4ESMN1; SMN2

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-20220242886-A1 CHEMICAL COMPOUNDS CANAAN XII L.P. 2022-08-04 US disclosed
US-20210188879-A1 CHEMICAL COMPOUNDS CANAAN XII L.P. 2021-06-24 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-20210188879-A1 CHEMICAL COMPOUNDS JAK2, JAK1, JAK3 KMT2A 616/4885MCL1 156/4885GAA 1638/4885
US-20220242886-A1 CHEMICAL COMPOUNDS JAK2, JAK1, JAK3 KMT2A 616/4885MCL1 156/4885GAA 1638/4885

“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.