SCHEMBL24367756

SCHEMBL24367756

CN(C)c1ccc(-c2nc3nccnc3n2-c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
KDM4E B2RXH2 5/20 0.50
GFER P55789 3/20 0.50
CYP2C19 P33261 2/20 0.45
TSHR P16473 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
MAPT P10636 4/20 0.42
HPGD P15428 3/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 2/20 0.42
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PKM P14618 1/20 0.42
AURKA O14965 2/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40

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
SCHEMBL25536931 0.95 ALDH1A1 (0.45) ALDH1A1KDM4EGFERCYP2C19TSHR
SCHEMBL21885770 0.93 ALDH1A1 (0.45) ALDH1A1KDM4EGFERCYP2C19TSHR
SCHEMBL21885769 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EGFERCYP2C19TSHR
SCHEMBL13998682 0.87 ALDH1A1 (0.52) ALDH1A1KDM4ECYP2C19TSHRMAPT
SCHEMBL21885768 0.86 MAPT (0.46) ALDH1A1KDM4EGFERCYP2C19TSHR
SCHEMBL13916705 0.85 ALDH1A1 (0.57) ALDH1A1KDM4ECYP2C19TSHRMAPT
SCHEMBL13916712 0.81 ALDH1A1 (0.49) ALDH1A1KDM4ECYP2C19TSHRHPGD
SCHEMBL13053161 0.81 ALDH1A1 (0.47) ALDH1A1KDM4ECYP2C19TSHRMAPT
SCHEMBL2602377 0.78 AKT1 (0.43) ALDH1A1KDM4ECYP2C19TSHRMAPT
SCHEMBL13052997 0.77 ALDH1A1 (0.41) ALDH1A1KDM4ECYP2C19TSHRHPGD

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-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

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 3721/4885GFER 2026/4885
US-20230165854-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH APJ RECEPTOR ACTIVITY APLNR, AGTR1, AGTR2 ALDH1A1 2722/4885KDM4E 3721/4885GFER 2026/4885

“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.