SCHEMBL6435656

SCHEMBL6435656

CCC(S)c1ccc2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c[nH]c2n1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.67
CYP2D6 P10635 4/20 0.67
CYP2C9 P11712 3/20 0.67
CYP3A4 P08684 1/20 0.59
GHSR Q92847 6/20 0.40
SMYD3 Q9H7B4 1/20 0.38
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMO Q99835 3/20 0.37
PARP1 P09874 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
SCHEMBL6431973 0.86 CYP2C19 (0.76) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL1763412 0.85 CYP2C19 (0.75) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL1763409 0.85 CYP2C19 (0.75) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL6431861 0.84 CYP2C19 (0.74) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL1763475 0.84 CYP2C19 (0.73) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL1763473 0.84 CYP2C19 (0.73) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL6901006 0.83 CYP2C19 (0.66) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL1763436 0.82 CYP2C19 (0.70) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL1763438 0.82 CYP2C19 (0.70) CYP2C19CYP2D6CYP2C9CYP3A4GHSR
SCHEMBL6431889 0.81 CYP2C19 (1.00) CYP2C19CYP2D6CYP2C9CYP3A4GHSR

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 8 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
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 3101/4885CYP2D6 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.