SCHEMBL6432422

SCHEMBL6432422

COc1ccnc2c(C(=O)C(=O)O)cn(C)c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
RAB9A P51151 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
KDM4C Q9H3R0 2/20 0.33
KDM4A O75164 1/20 0.33
KDM5A P29375 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
SRC P12931 3/20 0.33
TGFBR1 P36897 3/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 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
SCHEMBL7064238 0.88 MEN1 (0.38) MEN1RAB9AKMT2APOLBPDE4A
Potassium Ion SCHEMBL7063083 0.88 MEN1 (0.33) MEN1RAB9AKMT2APOLBSRC
SCHEMBL7064241 0.74 ATM (0.43) MEN1RAB9AKMT2APOLBKDM4C
SCHEMBL6435715 0.73 CYP2D6 (0.65)
SCHEMBL6435710 0.73 CYP2D6 (0.65)
SCHEMBL2053701 0.71 CNR2 (0.39) MEN1KMT2ASMN1; SMN2MET
Hydrochloric Acid SCHEMBL2053752 0.70 CNR2 (0.39) MEN1KMT2ASMN1; SMN2MET
SCHEMBL16593542 0.69 PDE4D (0.35) MEN1RAB9AKMT2APOLBKDM4C
SCHEMBL2998359 0.66 CDK5 (0.50) MEN1RAB9AKMT2APOLBSRC
SCHEMBL2052831 0.65 NPSR1 (0.39) MEN1KMT2ASMN1; SMN2KDM4EGAA

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 MEN1 4153/4885RAB9A 1982/4885KMT2A 941/4885
US-20020061892-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, AZI2 MEN1 4153/4885RAB9A 1982/4885KMT2A 941/4885
US-20040023982-A1 Antiviral azaindole derivatives ZC3HAV1, MAVS, EIF2AK2 MEN1 3938/4885RAB9A 2229/4885KMT2A 997/4885

“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.