SCHEMBL6436133

SCHEMBL6436133

COc1nccc2c(C(=O)C(=O)O)c[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NR4A2 P43354 2/20 0.38
MAP2K1 Q02750 1/20 0.38
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
AXL P30530 2/20 0.35
CPT1A P50416 1/20 0.35
CYP19A1 P11511 1/20 0.35
BRPF1 P55201 1/20 0.34
LMNA P02545 1/20 0.34
PRKAG1 P54619 1/20 0.34
PRKAA1 Q13131 1/20 0.34
PRKAB1 Q9Y478 1/20 0.34
TET2 Q6N021 1/20 0.33
TET1 Q8NFU7 1/20 0.33
MTNR1A P48039 1/20 0.33
CSNK2A1 P68400 1/20 0.33

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
Potassium Ion SCHEMBL7063395 0.87 CSNK2A1 (0.37) CYP2C9KDM4EALDH1A1HPGDNR4A2
SCHEMBL7063086 0.87 NR4A2 (0.40) CYP2C9KDM4EALDH1A1HPGDNR4A2
SCHEMBL2633339 0.81 DYRK1A (0.43) KDM4EALDH1A1HPGDNR4A2MAP2K1
SCHEMBL3016851 0.81 PIM3 (0.46) CYP2C9KDM4EALDH1A1HPGDNR4A2
SCHEMBL2628954 0.78 KDM5A (0.38) KDM4EALDH1A1NR4A2MAP2K1KDM5A
SCHEMBL2628866 0.78 KDM4C (0.44) ALDH1A1NR4A2KDM5AKDM4CCYP19A1
Potassium SCHEMBL1762976 0.77 KDM4C (0.43) ALDH1A1NR4A2KDM5AKDM4CCYP19A1
Potassium SCHEMBL1763544 0.77 KDM5A (0.37) ALDH1A1NR4A2MAP2K1KDM5AKDM4C
SCHEMBL1762972 0.77 KDM4C (0.43) ALDH1A1NR4A2KDM5AKDM4CCYP19A1
SCHEMBL1763541 0.77 KDM5A (0.37) ALDH1A1NR4A2MAP2K1KDM5AKDM4C

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 CYP2C9 3477/4885KDM4E 462/4885ALDH1A1 1054/4885
US-20020061892-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 CYP2C9 3477/4885KDM4E 462/4885ALDH1A1 1054/4885
US-20040023982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, EIF2AK2 CYP2C9 3466/4885KDM4E 493/4885ALDH1A1 882/4885

“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.