SCHEMBL21863531

SCHEMBL21863531

Cc1nc(C(C)C)c2cnccn12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.36
GAA P10253 9/20 0.36
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CNR2 P34972 1/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
BRAF P15056 1/20 0.31

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
SCHEMBL15635535 0.81 MAPT (0.33) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL21863289 0.77 MAPT (0.40) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL31164467 0.74 MAPT (0.44) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL21848995 0.73 MAPT (0.37) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL18878436 0.73 HTR4 (0.44) MAPTGAAKDM4EALDH1A1MEN1
SCHEMBL16160353 0.71 BRAF (0.39) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL25966785 0.71 KDM4E (0.33) KDM4EALDH1A1HTTTP53
SCHEMBL13377438 0.71 MAPT (0.39) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL11892538 0.71 GAA (0.39) MAPTGAAKDM4EALDH1A1HTT
SCHEMBL21849351 0.69 MAPT (0.43) MAPTGAAKDM4EALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
US-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-08-10 US disclosed
WO-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 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 (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-20230250060-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 MAPT 3027/4885GAA 184/4885KDM4E 3761/4885
US-20230250088-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 MAPT 3076/4885GAA 197/4885KDM4E 3667/4885

“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.