SCHEMBL6443650

SCHEMBL6443650

COc1ncc(OC)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)CC3C)c[nH]c12

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 5/20 0.77
CYP2D6 P10635 5/20 0.73
CYP2C19 P33261 6/20 0.61
CYP3A4 P08684 3/20 0.60
CYP1A2 P05177 1/20 0.57
CYP2C8 P10632 1/20 0.57
CYP2B6 P20813 1/20 0.57
KCNH2 Q12809 1/20 0.57
GHSR Q92847 7/20 0.42
CFTR P13569 2/20 0.42
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL1763938 0.91 CYP2D6 (0.70) CYP2C9CYP2D6CYP2C19CYP3A4CYP1A2
SCHEMBL1763941 0.91 CYP2D6 (0.70) CYP2C9CYP2D6CYP2C19CYP3A4CYP1A2
SCHEMBL2688411 0.88 CYP2C9 (1.00) CYP2C9CYP2D6CYP2C19CYP3A4CYP1A2
SCHEMBL30966670 0.88 CYP2C9 (1.00) CYP2C9CYP2D6CYP2C19CYP3A4CYP1A2
SCHEMBL1763665 0.87 CYP2D6 (0.65) CYP2C9CYP2D6CYP2C19CYP3A4CYP1A2
SCHEMBL12198757 0.86 CYP2D6 (0.64) CYP2C9CYP2D6CYP2C19CYP3A4CYP1A2
SCHEMBL1763782 0.86 CYP2D6 (0.64) CYP2C9CYP2D6CYP2C19CYP3A4CYP1A2
SCHEMBL4072420 0.86 CYP2D6 (0.64) CYP2C9CYP2D6CYP2C19CYP3A4CYP1A2
SCHEMBL1763048 0.86 CYP2D6 (0.63) CYP2C9CYP2D6CYP2C19CYP3A4CYP1A2
SCHEMBL1763196 0.86 CYP2D6 (0.63) CYP2C9CYP2D6CYP2C19CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6900323-B2 Antiviral azaindole derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2005-05-31 US disclosed
US-20040023982-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2004-02-05 US disclosed
US-6476034-B2 AIDS THERAPY BRISTOL-MYERS SQUIBB COMPANY 2002-11-05 US disclosed
US-20020119982-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2002-08-29 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-20020119982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 CYP2C9 3477/4885CYP2D6 1648/4885CYP2C19 3101/4885
US-20040023982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, EIF2AK2 CYP2C9 3466/4885CYP2D6 1508/4885CYP2C19 3009/4885

“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.