SCHEMBL22210778

SCHEMBL22210778

CC(C)(C)NC(=O)c1c[nH]cc(-c2ccccc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 4/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SYK P43405 1/20 0.40
MAPK1 P28482 2/20 0.40
IMPDH2 P12268 1/20 0.39
LMNA P02545 2/20 0.39
THRB P10828 1/20 0.39
CYP2C9 P11712 1/20 0.38
EPHX1 P07099 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
SCHEMBL22210777 0.86 AURKB (0.42) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL13701698 0.78 CHRNB2 (0.59) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL319126 0.77 ALDH1A1 (0.58) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL18256949 0.74 BCAT2 (0.56) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL11434922 0.73 ALDH1A1 (0.53) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL10172579 0.72 KAT6A (0.56) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL6748722 0.71 MAPT (0.61) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL320357 0.71 TSHR (0.53) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL973933 0.69 ALDH1A1 (0.61) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2
SCHEMBL14357551 0.69 ALDH1A1 (0.56) KMT2AMAPTMEN1ALDH1A1SMN1; SMN2

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-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2020-07-14 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-10710996-B2 Pyrido-azaheterecydic compound and preparation method and use thereof MET, MERTK, DMPK KMT2A 885/4885MAPT 2878/4885MEN1 450/4885

“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.