SCHEMBL137420

SCHEMBL137420

CCOC(=O)c1c(C)nc2sc3c(c2c1O)CCCC3

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.61
ALDH1A1 P00352 7/20 0.61
HPGD P15428 4/20 0.61
GAA P10253 2/20 0.61
HSD17B10 Q99714 2/20 0.61
TSHR P16473 1/20 0.61
MAPT P10636 4/20 0.54
ALOX15 P16050 2/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 3/20 0.53
LMNA P02545 3/20 0.53
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
GABRA1 P14867 1/20 0.51
GABRB1 P18505 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
GABRA2 P47869 1/20 0.51

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
SCHEMBL15423721 0.88 ALDH1A1 (0.58) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL136259 0.87 KDM4E (0.60) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL135158 0.87 KDM4E (0.60) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL620485 0.87 GABRP (0.66) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL8510497 0.83 KMT2A (0.49) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL5505525 0.81 MAPT (0.61) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL11580712 0.77 HPGD (0.56) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL3916185 0.76 KDM4E (1.00) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL8191450 0.75 KDM4E (0.98) KDM4EALDH1A1HPGDGAAHSD17B10
SCHEMBL11476938 0.75 ELANE (0.63) KDM4EALDH1A1HPGDGAAHSD17B10

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430029-B1 THIENO[2,3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH (BE) 2018-01-10 EP disclosed
EP-2640729-B1 INHIBITORS OF HIV REPLICATION VIIV HEALTHCARE UK LTD (GB) 2016-12-21 EP disclosed
EP-2640729-B1 INHIBITORS OF HIV REPLICATION VIIV HEALTHCARE UK LTD (GB) 2016-12-21 EP disclosed
US-20160355528-A1 INHIBITORS OF HIV REPLICATION VIIV HEALTHCARE UK LIMITED (GB) 2016-12-08 US disclosed
US-20160355528-A1 INHIBITORS OF HIV REPLICATION VIIV HEALTHCARE UK LIMITED (GB) 2016-12-08 US disclosed
US-20160355528-A1 INHIBITORS OF HIV REPLICATION VIIV HEALTHCARE UK LIMITED (GB) 2016-12-08 US disclosed
US-9499563-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-11-22 US disclosed
US-9447116-B2 Inhibitors of HIV replication VIIV HEALTHCARE UK LIMITED (GB) 2016-09-20 US disclosed
US-9447116-B2 Inhibitors of HIV replication VIIV HEALTHCARE UK LIMITED (GB) 2016-09-20 US disclosed
US-9447116-B2 Inhibitors of HIV replication VIIV HEALTHCARE UK LIMITED (GB) 2016-09-20 US disclosed
US-8785638-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-07-22 US disclosed
EP-2640729-A1 INHIBITORS OF HIV REPLICATION VIIV Healthcare UK Limited (GB) 2013-09-25 EP disclosed
US-20120136023-A1 Inhibitors of HIV Replication VIIV HEALTHCARE UK LIMITED (GB) 2012-05-31 US disclosed
US-20120136023-A1 Inhibitors of HIV Replication VIIV HEALTHCARE UK LIMITED (GB) 2012-05-31 US disclosed
US-20120136023-A1 Inhibitors of HIV Replication VIIV HEALTHCARE UK LIMITED (GB) 2012-05-31 US disclosed
WO-2012066442-A1 INHIBITORS OF HIV REPLICATION PFIZER LIMITED (GB) 2012-05-24 WO disclosed
WO-2012066442-A1 INHIBITORS OF HIV REPLICATION PFIZER LIMITED (GB) 2012-05-24 WO disclosed
EP-2430029-A1 THIENO [2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven (BE) 2012-03-21 EP disclosed
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-03-08 US disclosed
WO-2010130842-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-11-18 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-20160355528-A1 INHIBITORS OF HIV REPLICATION RTF2, POLRMT, MAVS KDM4E 917/4885ALDH1A1 4304/4885HPGD 2291/4885
US-20120136023-A1 Inhibitors of HIV Replication RTF2, POLRMT, MAVS KDM4E 917/4885ALDH1A1 4304/4885HPGD 2291/4885
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS KDM4E 827/4885ALDH1A1 1925/4885HPGD 466/4885

“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.