SCHEMBL21338951

SCHEMBL21338951

CC(C)(C)c1ncc(Cl)cc1C1=CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.40
PIK3CD O00329 4/20 0.40
PIK3CB P42338 3/20 0.40
PIK3CG P48736 3/20 0.40
MAPK14 Q16539 5/20 0.36
GPBAR1 Q8TDU6 1/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
APLNR P35414 1/20 0.35
PRPS1 P60891 1/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PIK3R1 P27986 1/20 0.33
GCK P35557 1/20 0.32
MTOR P42345 2/20 0.32
SUV39H2 Q9H5I1 1/20 0.31
PDE10A Q9Y233 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
SCHEMBL20200677 0.81 PIK3CD (0.42) PIK3CAPIK3CDPIK3CBPIK3CGMAPK14
SCHEMBL18988775 0.78 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBPIK3CGMAPK14
SCHEMBL21338955 0.75 HTR2C (0.45)
SCHEMBL21338957 0.74 SLC6A4 (0.47)
SCHEMBL21339365 0.69 QDPR (0.43) APLNRSUV39H2
SCHEMBL20777092 0.69 PDE3B (0.41) PIK3CAPIK3CDPIK3CBPIK3CGMAPK14
SCHEMBL23419706 0.69 TPH1 (0.39) PIK3CAPIK3CDPIK3CBPIK3CGMAPK14
SCHEMBL2457641 0.66 PIK3CA (0.41) PIK3CAPIK3CDPIK3CBPIK3CGMAPK14
SCHEMBL20777090 0.66 PIK3CD (0.36) PIK3CAPIK3CDPIK3CBPIK3CGMAPK14
SCHEMBL24377637 0.65 PIM1 (0.43) PIK3CAPIK3CDPIK3CBPIK3CGMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-08-11 US disclosed
US-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-12 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-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, APLNR PIK3CA 1901/4885PIK3CD 1806/4885PIK3CB 2158/4885
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor TBXA2R, AGTR1, APLNR PIK3CA 1901/4885PIK3CD 1806/4885PIK3CB 2158/4885

“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.