SCHEMBL6446945

SCHEMBL6446945

O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2cnccc12

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.73
CYP2C9 P11712 4/20 0.73
CYP2D6 P10635 3/20 0.73
CYP3A4 P08684 2/20 0.62
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
LMNA P02545 3/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GABRA1 P14867 2/20 0.47
GABRG2 P18507 2/20 0.47
GABRB3 P28472 2/20 0.47
GABRA3 P34903 2/20 0.47
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL3843612 0.86 POLB (0.71) CYP2C19CYP2C9CYP2D6CYP3A4POLB
SCHEMBL1763435 0.85 CYP2C19 (1.00) CYP2C19CYP2C9CYP2D6CYP3A4
SCHEMBL6435812 0.85 CYP2C19 (1.00) CYP2C19CYP2C9CYP2D6CYP3A4
SCHEMBL1763437 0.85 CYP2C19 (1.00) CYP2C19CYP2C9CYP2D6CYP3A4
SCHEMBL6431605 0.81 CYP2C19 (0.73) CYP2C19CYP2C9CYP2D6CYP3A4POLB
SCHEMBL7657629 0.80 CYP2C19 (0.54) CYP2C19CYP2C9CYP2D6CYP3A4POLB
SCHEMBL1763352 0.79 CYP2C9 (0.54) CYP2C19CYP2C9CYP2D6CYP3A4POLB
SCHEMBL1763615 0.79 CYP2C9 (0.51) CYP2C19CYP2C9CYP2D6CYP3A4POLB
SCHEMBL9942619 0.79 CYP2C9 (0.55) CYP2C19CYP2C9CYP2D6CYP3A4POLB
SCHEMBL1763556 0.78 CYP2C9 (0.54) CYP2C19CYP2C9CYP2D6CYP3A4POLB

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 7 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-6632819-B1 HIV and AIDS BRISTOL-MYERS SQUIBB COMPANY 2003-10-14 US disclosed
US-20030181463-A1 Antiviral azaindole derivatives VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2003-09-25 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
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 (4 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 CYP2C19 3101/4885CYP2C9 3477/4885CYP2D6 1648/4885
US-20020061892-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 CYP2C19 3101/4885CYP2C9 3477/4885CYP2D6 1648/4885
US-20040023982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, EIF2AK2 CYP2C19 3009/4885CYP2C9 3466/4885CYP2D6 1508/4885
US-20030181463-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 CYP2C19 3101/4885CYP2C9 3477/4885CYP2D6 1648/4885

“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.