SCHEMBL27358232

SCHEMBL27358232

CC(C)c1cc(F)c2c(c1)CCN(C(C)C)C2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.41
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRIA1 P42261 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA3 P42263 1/20 0.34
GRIA4 P48058 1/20 0.34
EIF4A3 P38919 1/20 0.34
KCNK3 O14649 1/20 0.34
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
HRH3 Q9Y5N1 2/20 0.32
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL24817956 0.85 KCNH2 (0.34) PTPN2EIF4A3
SCHEMBL25465420 0.83 PTPN2 (0.39) PTPN2ALDH1A1GAATHRBL3MBTL1
SCHEMBL25465577 0.78 ALDH1A1 (0.38) PTPN2ALDH1A1GAATHRBL3MBTL1
SCHEMBL27358363 0.78 POLB (0.38) PTPN2GRIA1GRIA2GRIA3GRIA4
SCHEMBL25828856 0.76 EIF4A3 (0.38) EIF4A3
SCHEMBL24316260 0.74 KCNH2 (0.48) HRH3
SCHEMBL15785388 0.73 EIF4A3 (0.34) ALDH1A1EIF4A3
SCHEMBL26575966 0.73 HRH3 (0.42) PTPN2HRH3
SCHEMBL26141147 0.73 EIF4A3 (0.36) EIF4A3
SCHEMBL2741634 0.72 OGA (0.43) ALDH1A1HRH3

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-20240217947-A1 Morpholinylquinazoline Compound, Pharmaceutical compositions thereof and Use Thereof SHANGHAI YINGLI PHARMACEUTICAL CO., LTD (CN) 2024-07-04 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-20240217947-A1 Morpholinylquinazoline Compound, Pharmaceutical compositions thereof and Use Thereof HDAC6, HDAC9, HDAC7 PTPN2 787/4885ALDH1A1 2487/4885GAA 568/4885

“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.