SCHEMBL23808976

SCHEMBL23808976

Cc1nc(CN2CCN(C)CC2)nc(C)c1C(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PTPN1 P18031 1/20 0.39
SIGMAR1 Q99720 3/20 0.38
MC4R P32245 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.35
TMEM97 Q5BJF2 2/20 0.35
HRH1 P35367 1/20 0.34
HTT P42858 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
SCHEMBL23809141 0.86 SIGMAR1 (0.46) ALDH1A1KDM4ESIGMAR1TDP1LMNA
SCHEMBL23809110 0.83 LMNA (0.37) ALDH1A1MAPTSIGMAR1LMNATMEM97
SCHEMBL26032241 0.82 GAA (0.44) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL23809035 0.81 ALOX15 (0.43) ALDH1A1KDM4EGAASMN1; SMN2PTPN1
SCHEMBL23809108 0.81 CXCR4 (0.39) ALDH1A1KDM4EPTPN1SIGMAR1TDP1
SCHEMBL23809134 0.80 HRH3 (0.44) ALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL26032247 0.79 GAA (0.43) ALDH1A1KDM4EGAASMN1; SMN2PTPN1
SCHEMBL23808978 0.79 PIK3CD (0.43) SIGMAR1HRH1
SCHEMBL16476786 0.77 GAA (0.36) ALDH1A1KDM4EMAPTGAASMN1; SMN2
SCHEMBL16479758 0.76 GAA (0.41) ALDH1A1KDM4EGAASMN1; SMN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2021-09-16 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 (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-20210283138-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 ALDH1A1 2556/4885KDM4E 1156/4885MAPT 2996/4885

“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.