SCHEMBL5388971

SCHEMBL5388971

CCOC(=O)c1nc2n(c(=O)c1OCc1ccccc1)CCC2(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSP90AA1 P07900 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PPARG P37231 1/20 0.38
MAOB P27338 1/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRA5 P31644 1/20 0.37
CYP19A1 P11511 1/20 0.37
MMP13 P45452 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
SCHEMBL12778017 0.94 PDE3B (0.43) HPGDKDM4EMEN1KMT2AHSP90AA1
SCHEMBL5401228 0.89 MMP2 (0.38) HPGDMAOBTP53LMNA
SCHEMBL13647664 0.88 HPGD (0.42) HPGDKDM4EMEN1KMT2AHSP90AA1
SCHEMBL1169612 0.88 KDM4E (0.41) HPGDKDM4EMEN1KMT2AHSP90AA1
SCHEMBL1169780 0.85 HPGD (0.40) HPGDKDM4EMEN1KMT2AHSP90AA1
SCHEMBL12775344 0.85 HPGD (0.42) HPGDKDM4EMEN1KMT2AHSP90AA1
SCHEMBL12775265 0.84 HPGD (0.39) HPGDKDM4EMEN1KMT2AHSP90AA1
SCHEMBL5438574 0.82 MMP2 (0.37) KDM4ESMN1; SMN2
SCHEMBL2525820 0.82 MTOR (0.42) HPGDKDM4EMEN1KMT2AL3MBTL1
SCHEMBL14064644 0.81 KDM4E (0.39) HPGDKDM4EMEN1KMT2AHSP90AA1

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
US-7902182-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
US-7902182-B2 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-03-08 US disclosed
US-20070111985-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
US-20070111985-A1 HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-05-17 US disclosed
EP-1749008-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS Bristol-Myers Squibb Company (US) 2007-02-07 EP disclosed
US-7173022-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173022-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
US-7173022-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 US disclosed
WO-2005118590-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2005-12-15 WO disclosed
US-20050267131-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 (2 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-20070111985-A1 HIV integrase inhibitors TYMP, POLN, IMPDH1 HPGD 712/4885KDM4E 701/4885MEN1 4174/4885
US-20050267131-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TOP1, APOBEC3C HPGD 218/4885KDM4E 1231/4885MEN1 3893/4885

“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.