SCHEMBL21885768

SCHEMBL21885768

CN(C)c1ccc(-n2c(-c3ccncc3)nc3nccnc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
CHRM5 P08912 1/20 0.40
CHKA P35790 1/20 0.40
AOC3 Q16853 4/20 0.37
AURKA O14965 2/20 0.36
KCNH2 Q12809 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
RAB9A P51151 1/20 0.36
HBB P68871 1/20 0.36
KMT2A Q03164 1/20 0.36
FYN P06241 1/20 0.36
ADK P55263 1/20 0.36
ABCC1 P33527 1/20 0.36
GFER P55789 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
SCHEMBL21885770 0.93 ALDH1A1 (0.45) MAPTSMN1; SMN2ALDH1A1KDM4EAURKA
SCHEMBL25536931 0.89 ALDH1A1 (0.45) MAPTSMN1; SMN2ALDH1A1KDM4EAURKA
SCHEMBL24367756 0.86 ALDH1A1 (0.50) MAPTSMN1; SMN2ALDH1A1KDM4EAURKA
SCHEMBL21885769 0.78 ALDH1A1 (0.43) MAPTSMN1; SMN2ALDH1A1KDM4EAURKA
SCHEMBL2602377 0.78 AKT1 (0.43) MAPTALDH1A1KDM4EALOX15RAB9A
SCHEMBL13916705 0.73 ALDH1A1 (0.57) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL13998682 0.72 ALDH1A1 (0.52) MAPTSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL13916712 0.69 ALDH1A1 (0.49) ALDH1A1KDM4EALOX15KMT2ATSHR
SCHEMBL2602440 0.68 PTGS2 (0.51)
SCHEMBL2602443 0.67 PTGS2 (0.47) ALDH1A1TSHRCYP2C19ALOX5

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-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY SHOUTI INC. 2023-06-01 US disclosed
US-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. 2022-04-28 US disclosed
WO-2020073011-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY ANNAPURNA BIO, INC. (US) 2020-04-09 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-20220125787-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 MAPT 3893/4885SMN1; SMN2 4259/4885ALDH1A1 2722/4885
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 MAPT 3893/4885SMN1; SMN2 4259/4885ALDH1A1 2722/4885

“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.