SCHEMBL21576210

SCHEMBL21576210

CC(C)C(=O)CCc1ccnn1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
P2RX7 Q99572 4/20 0.39
KDM4C Q9H3R0 1/20 0.38
MAPK1 P28482 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
POLB P06746 1/20 0.35
HTT P42858 1/20 0.34
GPR52 Q9Y2T5 1/20 0.34
ALDH1A1 P00352 1/20 0.33
PIK3CD O00329 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL21576127 0.84 KMT2A (0.44) KMT2AL3MBTL1P2RX7KDM4CMAPK1
SCHEMBL21576217 0.83 P2RX7 (0.50) KMT2AL3MBTL1P2RX7KDM4CMAPK1
SCHEMBL21576234 0.81 KMT2A (0.49) KMT2AL3MBTL1P2RX7KDM4CMAPK1
SCHEMBL6133307 0.81 MAPK1 (0.50) KMT2AL3MBTL1P2RX7KDM4CMAPK1
SCHEMBL22572293 0.81 RAB9A (0.38) KMT2AL3MBTL1MAPK1POLBHTT
SCHEMBL26085395 0.80 KMT2A (0.39) KMT2AL3MBTL1P2RX7KDM4CFNTA
SCHEMBL24159039 0.79 KMT2A (0.47) KMT2AL3MBTL1P2RX7KDM4CMAPK1
SCHEMBL21576740 0.78 KMT2A (0.46) KMT2AL3MBTL1P2RX7KDM4CMAPK1
SCHEMBL21576961 0.76 MAPK1 (0.34) P2RX7MAPK1PIK3CD
SCHEMBL21576138 0.73 KMT2A (0.45) KMT2AL3MBTL1P2RX7KDM4CFNTA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11643400-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2023-05-09 US disclosed
US-10988451-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2021-04-27 US disclosed
US-20200331870-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2020-10-22 US disclosed
US-10703733-B2 MCL-1 inhibitors GILEAD SCIENCES, INC. (US) 2020-07-07 US disclosed
US-20190352271-A1 MCL-1 INHIBITORS GILEAD SCIENCES, INC. 2019-11-21 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 (5 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-20190352271-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 KMT2A 2456/4885L3MBTL1 616/4885P2RX7 4351/4885
US-20200331870-A1 MCL-1 INHIBITORS MCL1, BCL2L1, BCL2 KMT2A 2456/4885L3MBTL1 616/4885P2RX7 4351/4885
US-10703733-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 KMT2A 2456/4885L3MBTL1 616/4885P2RX7 4351/4885
US-11643400-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 KMT2A 2456/4885L3MBTL1 616/4885P2RX7 4351/4885
US-10988451-B2 MCL-1 inhibitors MCL1, BCL2L1, BCL2 KMT2A 2456/4885L3MBTL1 616/4885P2RX7 4351/4885

“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.