SCHEMBL6432355

SCHEMBL6432355

O=C(O)C(=O)c1c[nH]c2cccnc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.49
TET2 Q6N021 2/20 0.43
TET1 Q8NFU7 2/20 0.43
HAT1 O14929 1/20 0.42
EP300 Q09472 1/20 0.42
PARP1 P09874 1/20 0.41
PSMD14 O00487 1/20 0.41
GPR84 Q9NQS5 1/20 0.40
MAP2K1 Q02750 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
KDM6B O15054 1/20 0.38
KDM6A O15550 1/20 0.38
TET3 O43151 1/20 0.38
KDM4A O75164 1/20 0.38
KDM4B O94953 1/20 0.38
KDM5C P41229 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
FTO Q9C0B1 1/20 0.38

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
SCHEMBL2816680 0.86 TET2 (0.51) CYP2C19TET2TET1HAT1EP300
SCHEMBL29600892 0.86 TET2 (0.51) CYP2C19TET2TET1HAT1EP300
Potassium Ion SCHEMBL7064340 0.85 CYP2C19 (0.46) CYP2C19TET2TET1HAT1EP300
SCHEMBL3889448 0.85 PARP1 (0.47) CYP2C19TET2TET1HAT1EP300
Hydrochloric Acid SCHEMBL2040536 0.85 TET2 (0.50) CYP2C19TET2TET1HAT1EP300
SCHEMBL7064347 0.81 MAP2K1 (0.48) CYP2C19HAT1EP300PARP1MAP2K1
SCHEMBL12479995 0.81 PBRM1 (0.54) CYP2C19TET2TET1HAT1EP300
SCHEMBL1474939 0.81 PARP1 (0.58) CYP2C19TET2TET1HAT1EP300
SCHEMBL29601281 0.81 PBRM1 (0.54) CYP2C19TET2TET1HAT1EP300
SCHEMBL30436129 0.81 PARP1 (0.58) CYP2C19TET2TET1HAT1EP300

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
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
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 (3 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 3101/4885TET2 341/4885TET1 71/4885
US-20020061892-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 CYP2C19 3101/4885TET2 341/4885TET1 71/4885
US-20040023982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, EIF2AK2 CYP2C19 3009/4885TET2 260/4885TET1 41/4885

“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.