SCHEMBL20197172

SCHEMBL20197172

CC(C)Nc1cc(I)ccn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.42
MAPK10 P53779 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
FDPS P14324 2/20 0.39
TRPM8 Q7Z2W7 1/20 0.38
HTR7 P34969 1/20 0.36
HCAR3 P49019 1/20 0.36

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
SCHEMBL20003794 0.85 FDPS (0.36) MAPK14MAPK10HRH4FDPSHTR7
SCHEMBL3555705 0.79 HTR7 (0.59) MAPK14HTR7
SCHEMBL24815412 0.78 HRH4 (0.44) MAPK14MAPK10HRH4FDPSTRPM8
SCHEMBL29851369 0.78 FDPS (0.59) MAPK14MAPK10HRH4FDPSTRPM8
SCHEMBL828257 0.78 FDPS (0.59) MAPK14MAPK10HRH4FDPSTRPM8
SCHEMBL2730632 0.77
SCHEMBL15102638 0.76 MAPK14 (0.42) MAPK14MAPK10HRH4FDPSTRPM8
SCHEMBL12356613 0.76 MAPK14 (0.42) MAPK14MAPK10HRH4FDPSTRPM8
SCHEMBL17131640 0.76 MAPK14 (0.52) MAPK14MAPK10HRH4
SCHEMBL23066110 0.76 MAPK14 (0.47) MAPK14MAPK10HRH4FDPSTRPM8

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 7 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
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
EP-3038622-B1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE MEDIVATION TECH LLC (US) 2018-05-30 EP 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 (1 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-11666577-B2 MLKL inhibitors MLKL, CMKLR1, PCSK9 MAPK14 633/4885MAPK10 1189/4885HRH4 3106/4885

“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.