SCHEMBL6435812

SCHEMBL6435812

C[C@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1c[nH]c2cnccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 1.00
CYP2D6 P10635 4/20 1.00
CYP2C9 P11712 4/20 1.00
CYP3A4 P08684 1/20 0.86
SMO Q99835 5/20 0.49
GHSR Q92847 7/20 0.46
EIF4A3 P38919 1/20 0.42

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
SCHEMBL1763437 1.00 CYP2C19 (1.00) CYP2C19CYP2D6CYP2C9CYP3A4SMO
SCHEMBL1763435 1.00 CYP2C19 (1.00) CYP2C19CYP2D6CYP2C9CYP3A4SMO
SCHEMBL6445031 0.93 CYP2C19 (1.00) CYP2C19CYP2D6CYP2C9CYP3A4SMO
SCHEMBL6446945 0.85 CYP2C19 (0.73) CYP2C19CYP2D6CYP2C9CYP3A4
SCHEMBL6431889 0.84 CYP2C19 (1.00) CYP2C19CYP2D6CYP2C9CYP3A4SMO
SCHEMBL2688694 0.84 CYP2C19 (1.00) CYP2C19CYP2D6CYP2C9CYP3A4SMO
SCHEMBL6436857 0.84 CYP2C19 (1.00) CYP2C19CYP2D6CYP2C9CYP3A4SMO
SCHEMBL1763112 0.83 CYP2C19 (0.70) CYP2C19CYP2D6CYP2C9CYP3A4SMO
SCHEMBL1763111 0.83 CYP2C19 (0.70) CYP2C19CYP2D6CYP2C9CYP3A4SMO
SCHEMBL9942598 0.82 CYP2C19 (0.71) CYP2C19CYP2D6CYP2C9CYP3A4SMO

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.