SCHEMBL6447476

SCHEMBL6447476

CCCCCC1CN(C(=O)C(=O)c2c[nH]c3ncccc23)CCN1C(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.65
CYP2D6 P10635 4/20 0.65
CYP2C9 P11712 4/20 0.65
CYP3A4 P08684 1/20 0.47
HSD11B1 P28845 2/20 0.40
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
MAP2K1 Q02750 1/20 0.38
GABRA1 P14867 5/20 0.38
GABRG2 P18507 5/20 0.38
GABRB3 P28472 5/20 0.38
GABRA3 P34903 5/20 0.38
GABRA2 P47869 5/20 0.38
GABRB2 P47870 5/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.37

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
SCHEMBL6431825 0.91 CYP2C19 (0.70) CYP2C19CYP2D6CYP2C9CYP3A4HSD11B1
SCHEMBL7641437 0.84 CYP2C19 (0.86) CYP2C19CYP2D6CYP2C9CYP3A4HSD11B1
SCHEMBL6432766 0.84 CYP2C19 (0.86) CYP2C19CYP2D6CYP2C9CYP3A4HSD11B1
SCHEMBL6432338 0.84 CYP2C19 (0.78) CYP2C19CYP2D6CYP2C9CYP3A4HSD11B1
SCHEMBL6431901 0.82 CYP2C19 (0.65) CYP2C19CYP2D6CYP2C9CYP3A4HSD11B1
SCHEMBL6436347 0.82 CYP2C19 (0.70) CYP2C19CYP2D6CYP2C9CYP3A4HSD11B1
SCHEMBL7642253 0.81 CYP2C19 (0.68) CYP2C19CYP2D6CYP2C9CYP3A4HSD11B1
SCHEMBL6431889 0.79 CYP2C19 (1.00) CYP2C19CYP2D6CYP2C9CYP3A4HSD11B1
SCHEMBL6436857 0.79 CYP2C19 (1.00) CYP2C19CYP2D6CYP2C9CYP3A4HSD11B1
SCHEMBL2688694 0.79 CYP2C19 (1.00) CYP2C19CYP2D6CYP2C9CYP3A4HSD11B1

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 10 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
EP-1257276-A4 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2004-10-27 EP 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
EP-1257276-A1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2002-11-20 EP 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
WO-2001062255-A1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-30 WO 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 3101/4885CYP2D6 1648/4885CYP2C9 3477/4885
US-20020061892-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 CYP2C19 3101/4885CYP2D6 1648/4885CYP2C9 3477/4885
US-20040023982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, EIF2AK2 CYP2C19 3009/4885CYP2D6 1508/4885CYP2C9 3466/4885
US-20030181463-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.