SCHEMBL6435774

SCHEMBL6435774

COc1nccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c[nH]c12

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 6/20 0.68
CYP2D6 P10635 5/20 0.68
CYP2C9 P11712 5/20 0.68
CYP3A4 P08684 3/20 0.64
CFTR P13569 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C8 P10632 1/20 0.43
CYP2B6 P20813 1/20 0.43
KCNH2 Q12809 1/20 0.43
GHSR Q92847 4/20 0.42
SMO Q99835 3/20 0.40
SLC6A7 Q99884 1/20 0.40
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL9942598 0.88 CYP2C19 (0.71) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL1763021 0.88 CYP2C19 (0.70) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL1763020 0.88 CYP2C19 (0.70) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL1763507 0.88 CYP2C19 (0.70) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL1763508 0.88 CYP2C19 (0.70) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL2508793 0.86 CYP2C19 (0.58) CYP2C19CYP2D6CYP2C9CYP3A4CFTR
SCHEMBL1762937 0.86 CYP2C19 (0.58) CYP2C19CYP2D6CYP2C9CYP3A4CFTR
SCHEMBL6438678 0.86 CYP2C19 (0.68) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL6443666 0.85 CYP2D6 (0.77) CYP2C19CYP2D6CYP2C9CYP3A4CFTR
SCHEMBL6443650 0.84 CYP2C9 (0.77) CYP2C19CYP2D6CYP2C9CYP3A4CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1257276-B1 ANTIVIRAL AZAINDOLE DERIVATIVES BRISTOL MYERS SQUIBB CO (US) 2005-12-28 EP disclosed
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.