SCHEMBL21798673

SCHEMBL21798673

Cc1cccc2nc3cccc(C(=O)NC(C)CN(C)C(C)C)c3nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
RAD52 P43351 3/20 0.43
HDAC4 P56524 2/20 0.41
HDAC6 Q9UBN7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
SMARCA2 P51531 1/20 0.40
HTT P42858 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLR1A O95602 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 2/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL21798649 0.84 MAPT (0.51) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL21798672 0.81 MAPT (0.47) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL21798679 0.80 MAPT (0.45) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL26843511 0.80 MAPT (0.51) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL21798664 0.80 AOX1 (0.47) MAPTRAD52HDAC4HDAC6SMN1; SMN2
SCHEMBL21798696 0.77 RAD52 (0.48) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL7572020 0.75 MAPT (0.42) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL21798684 0.75 MAPT (0.51) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL7570902 0.75 MAPT (0.42) MAPTCYP1A2CYP2C9CYP2C19RAD52
SCHEMBL7566738 0.74 MAPT (0.48) MAPTCYP1A2CYP2C9CYP2C19RAD52

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-11046687-B2 Polycyclic amide compound, preparation process and use thereof HEBEI GRANDIOS PHARMA CO., LTD. 2021-06-29 US disclosed
US-20200079771-A1 Novel Polycyclic Amide Compound, Preparation Process And Use Thereof HEBEI GRANDIOS PHARMA CO., LTD. (CN) 2020-03-12 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-20200079771-A1 Novel Polycyclic Amide Compound, Preparation Process And Use Thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-0, UACA MAPT 590/4885CYP1A2 684/4885CYP2C9 96/4885
US-11046687-B2 Polycyclic amide compound, preparation process and use thereof H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, UACA, H1-0 MAPT 633/4885CYP1A2 688/4885CYP2C9 104/4885

“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.