SCHEMBL20488647

SCHEMBL20488647

CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1CC

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.73
TSHR P16473 4/20 0.67
RXFP1 Q9HBX9 8/20 0.64
MAPK1 P28482 2/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
POLB P06746 1/20 0.62
PKM P14618 1/20 0.59
RAB9A P51151 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 3/20 0.56
GAA P10253 1/20 0.56
NPSR1 Q6W5P4 2/20 0.55
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL18441011 0.91 HTT (0.73) HTTTSHRRXFP1MAPK1MEN1
SCHEMBL20488962 0.88 RXFP1 (0.78) HTTTSHRRXFP1MAPK1MEN1
SCHEMBL20488497 0.86 HTT (0.67) HTTTSHRRXFP1MAPK1MEN1
SCHEMBL20161818 0.86 HTT (0.79) HTTTSHRRXFP1MAPK1MEN1
SCHEMBL21602500 0.86 RXFP1 (0.79) TSHRRXFP1MAPK1MEN1KMT2A
SCHEMBL14754328 0.84 HTT (1.00) HTTTSHRRXFP1MAPK1MEN1
SCHEMBL21602575 0.84 HTT (0.64) HTTTSHRRXFP1MAPK1MEN1
SCHEMBL25239535 0.76 TSHR (0.67) HTTTSHRRXFP1MAPK1L3MBTL1
SCHEMBL460340 0.76 CYP1A2 (0.75) HTTTSHRMAPK1RAB9AL3MBTL1
SCHEMBL2119476 0.76 ALDH1A1 (0.68) HTTTSHRRXFP1MAPK1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 US disclosed
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 US disclosed
US-11666577-B2 MLKL inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2023-06-06 US disclosed
CN-110573509-B MLKL inhibitors 北京生命科学研究所 2023-05-26 CN disclosed
US-11090307-B2 Treating male senescence NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-08-17 US disclosed
US-20200046714-A1 Treating Male Senescence NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2020-02-13 US disclosed
WO-2019242576-A1 TREATING DEMYELINATING DISEASE NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2019-12-26 WO disclosed
CN-110573509-A MLKL inhibitors 北京生命科学研究所 2019-12-13 CN disclosed
WO-2018157800-A1 MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2018-09-07 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 (3 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-11090307-B2 Treating male senescence RIPK3, RIPK1, MLKL HTT 2157/4885TSHR 4353/4885RXFP1 407/4885
US-20200046714-A1 Treating Male Senescence RIPK3, RIPK1, MLKL HTT 2157/4885TSHR 4353/4885RXFP1 407/4885
US-11666577-B2 MLKL inhibitors MLKL, CMKLR1, PCSK9 HTT 2007/4885TSHR 4699/4885RXFP1 1924/4885

“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.