SCHEMBL21602500

SCHEMBL21602500

CCSc1nc2c(c(=O)n(C)c(=O)n2C)n1C

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.79
MEN1 O00255 1/20 0.79
KMT2A Q03164 1/20 0.79
MAOB P27338 11/20 0.67
MAOA P21397 9/20 0.67
MAPK1 P28482 1/20 0.62
LMNA P02545 1/20 0.62
GAA P10253 1/20 0.62
TSHR P16473 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
ALDH1A1 P00352 1/20 0.58
POLB P06746 1/20 0.58

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
SCHEMBL21602513 0.89 RXFP1 (1.00) RXFP1MEN1KMT2AMAOBMAOA
SCHEMBL20488647 0.86 HTT (0.73) RXFP1MEN1KMT2AMAPK1LMNA
SCHEMBL3098630 0.83 RXFP1 (0.78) RXFP1MEN1KMT2AMAOBMAOA
SCHEMBL3552988 0.83 RXFP1 (0.78) RXFP1MEN1KMT2AMAOBMAOA
SCHEMBL25209652 0.81 RXFP1 (0.67) RXFP1MEN1KMT2AMAOBMAOA
SCHEMBL21602599 0.81 MAPK1 (0.68) RXFP1MEN1KMT2AMAOBMAOA
SCHEMBL21602516 0.80 RXFP1 (0.65) RXFP1MEN1KMT2AMAOBMAOA
SCHEMBL25241641 0.79 RXFP1 (0.72) RXFP1MEN1KMT2AMAOBMAOA
SCHEMBL25241173 0.79 MAOB (1.00) RXFP1MEN1KMT2AMAOBMAOA
SCHEMBL25206902 0.78 MAOB (1.00) RXFP1MAOBMAOAMAPK1ALDH1A1

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 8 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

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 RXFP1 407/4885MEN1 1003/4885KMT2A 2508/4885
US-20200046714-A1 Treating Male Senescence RIPK3, RIPK1, MLKL RXFP1 407/4885MEN1 1003/4885KMT2A 2508/4885
US-11666577-B2 MLKL inhibitors MLKL, CMKLR1, PCSK9 RXFP1 1924/4885MEN1 129/4885KMT2A 2753/4885

“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.