SCHEMBL2564191

SCHEMBL2564191

CCOC(=O)c1cn2c(c1OC)C(=O)N(CC)CC2

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.40
PDE4B Q07343 1/20 0.36
BAZ2B Q9UIF8 1/20 0.36
BAZ2A Q9UIF9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL4280572 0.86 KCNK3 (0.40) KCNK3BAZ2BBAZ2AALDH1A1L3MBTL1
SCHEMBL2561202 0.78 PARP1 (0.42) KCNK3BAZ2BBAZ2AALDH1A1L3MBTL1
SCHEMBL12282441 0.72 KCNK3 (0.40) KCNK3PDE4BALDH1A1L3MBTL1KDM4E
SCHEMBL4690789 0.71 CRHBP (0.49) ALDH1A1KDM4ETSHR
SCHEMBL3983818 0.70 BAZ2B (0.41) BAZ2BBAZ2AALDH1A1L3MBTL1KDM4E
SCHEMBL4692958 0.70 MEN1 (0.47) ALDH1A1KDM4EHPGD
SCHEMBL3987831 0.69 MEN1 (0.44) ALDH1A1L3MBTL1KDM4EPKM
SCHEMBL4688507 0.67 SMN1; SMN2 (0.45) BAZ2BBAZ2AALDH1A1L3MBTL1KDM4E
SCHEMBL12282430 0.66 AKR1C3 (0.37) KCNK3BAZ2BBAZ2AALDH1A1KDM4E
SCHEMBL31355725 0.66 ALDH1A1 (0.42) BAZ2BBAZ2AALDH1A1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716293-B2 Macrocyclic integrase inhibitors JANSSEN R&D IRELAND (IE) 2014-05-06 US disclosed
US-8716293-B2 Macrocyclic integrase inhibitors JANSSEN R&D IRELAND (IE) 2014-05-06 US disclosed
US-8716293-B2 Macrocyclic integrase inhibitors JANSSEN R&D IRELAND (IE) 2014-05-06 US disclosed
EP-2552923-B1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R & D IRELAND (IE) 2014-03-26 EP disclosed
EP-2552923-B1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R & D IRELAND (IE) 2014-03-26 EP disclosed
US-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R&D IRELAND (IE) 2013-02-07 US disclosed
US-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R&D IRELAND (IE) 2013-02-07 US disclosed
US-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R&D IRELAND (IE) 2013-02-07 US disclosed
EP-2552923-A1 MACROCYCLIC INTEGRASE INHIBITORS Janssen R&D Ireland (IE) 2013-02-06 EP disclosed
WO-2011121105-A1 MACROCYCLIC INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-10-06 WO disclosed
WO-2011121105-A1 MACROCYCLIC INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-10-06 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 (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-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS TYMP, PIM1, TYMS KCNK3 3779/4885PDE4B 2297/4885BAZ2B 1601/4885

“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.