SCHEMBL5538575

SCHEMBL5538575

CCOC(=O)c1nc2n(c(=O)c1O)CC(=O)N(C)N2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 2/20 0.36
KDM4E B2RXH2 5/20 0.34
CYP1A2 P05177 3/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 3/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 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
SCHEMBL5645061 0.88 KDM5B (0.36) KDM5BKDM4ECYP1A2MAPTMEN1
SCHEMBL5646359 0.81 OPRM1 (0.35) KDM5BKDM4ECYP1A2MAPTMEN1
SCHEMBL5644226 0.81 MAPT (0.36) KDM5BKDM4EMAPTMEN1ALOX15
SCHEMBL5643178 0.79 KDM4E (0.39) KDM5BKDM4ECYP1A2MAPTMEN1
SCHEMBL5536481 0.77 KDM4E (0.40) KDM4ECYP1A2MEN1KMT2AGABRA1
SCHEMBL4392397 0.75 KDM5B (0.34) KDM5BKDM4ECYP1A2MAPTMEN1
SCHEMBL5646275 0.73 CYP1A2 (0.47) KDM5BKDM4ECYP1A2MAPTMEN1
SCHEMBL12777983 0.73 POLB (0.47) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL14064612 0.72 KDM4E (0.37) KDM5BKDM4ECYP1A2MAPTMEN1
SCHEMBL1169950 0.71 MAPT (0.43) KDM5BKDM4ECYP1A2MAPTMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
EP-1753767-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-21 EP disclosed
WO-2005118589-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO disclosed
US-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 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 (1 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-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TOP1, APOBEC3C KDM5B 1174/4885KDM4E 1231/4885CYP1A2 215/4885

“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.