SCHEMBL21885770

SCHEMBL21885770

CN(C)c1ccc(-c2nc3nccnc3n2-c2ccc(N(C)C)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 5/20 0.45
MAPT P10636 5/20 0.45
AURKA O14965 4/20 0.42
GFER P55789 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
HPGD P15428 3/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
HTT P42858 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL21885768 0.93 MAPT (0.46) ALDH1A1KDM4EMAPTAURKAGFER
SCHEMBL24367756 0.93 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTAURKAGFER
SCHEMBL25536931 0.93 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTAURKAGFER
SCHEMBL2602377 0.84 AKT1 (0.43) ALDH1A1KDM4EMAPTHPGDRAB9A
SCHEMBL21885769 0.84 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTAURKAGFER
SCHEMBL13998682 0.78 ALDH1A1 (0.52) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL13916705 0.76 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL2602440 0.74 PTGS2 (0.51) CYP2C9PTGS2PTGS1
SCHEMBL13053161 0.72 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD
SCHEMBL25536937 0.72 MAPK10 (0.47) ALDH1A1KDM4EMAPTSMN1; SMN2HPGD

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 4 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-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 ALDH1A1 2722/4885KDM4E 3721/4885MAPT 3893/4885
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 ALDH1A1 2722/4885KDM4E 3721/4885MAPT 3893/4885

“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.