SCHEMBL7639352

SCHEMBL7639352

C[C@@H]1CN(C(=O)C(=O)c2c[nH]c3c(N(C)C=O)ccnc23)CCN1C(=O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 6/20 0.58
CYP2D6 P10635 5/20 0.51
CYP2C9 P11712 5/20 0.51
CYP3A4 P08684 3/20 0.49
GHSR Q92847 4/20 0.42
SMO Q99835 2/20 0.39
CFTR P13569 2/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2B6 P20813 1/20 0.36
KCNH2 Q12809 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
SCHEMBL6435760 0.93 CYP2C19 (0.67) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL2629259 0.86 CYP2C19 (0.63) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL7194442 0.86 CYP2C19 (0.63) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL2629261 0.85 CYP2C19 (0.59) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL6435827 0.84 CYP2D6 (0.66) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL2629262 0.81 CYP2C19 (0.55) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL2629260 0.81 CYP2C19 (0.57) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL2629258 0.81 CYP2C19 (0.57) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL2628975 0.80 CYP2C19 (0.70) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL1763408 0.79 CYP2C19 (0.74) CYP2C19CYP2D6CYP2C9CYP3A4GHSR

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-20020061892-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2002-05-23 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-20020061892-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 CYP2C19 3101/4885CYP2D6 1648/4885CYP2C9 3477/4885

“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.