SCHEMBL3475677

SCHEMBL3475677

Cc1nc2sc3c(c2c(I)c1C(=O)O)CCCC3

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
APP P05067 1/20 0.47
CYP1A2 P05177 1/20 0.47
HIF1A Q16665 1/20 0.47
CSNK2A2 P19784 1/20 0.46
CSNK2B P67870 1/20 0.46
CSNK2A1 P68400 1/20 0.46
MAPT P10636 1/20 0.46
ABCC1 P33527 1/20 0.45
ABCC2 Q92887 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL8510497 0.85 KMT2A (0.49) KMT2AAPPCYP1A2HIF1ACSNK2A2
SCHEMBL6120513 0.84 KMT2A (0.48) KMT2AAPPCYP1A2HIF1ACSNK2A2
SCHEMBL618092 0.84 MAPT (0.54) KMT2AAPPMAPTALDH1A1KDM4E
SCHEMBL135158 0.84 KDM4E (0.60) KMT2AHIF1AMAPTALDH1A1HPGD
SCHEMBL9597948 0.83 RAB9A (0.55) KMT2AMAPTALDH1A1KDM4EHSD17B10
SCHEMBL8513642 0.79 KMT2A (0.44) KMT2AAPPCYP1A2HIF1ACSNK2A2
SCHEMBL737833 0.77 KMT2A (0.49) KMT2AAPPCYP1A2HIF1ACSNK2A2
SCHEMBL135038 0.77 APP (0.48) KMT2AAPPCYP1A2HIF1AMAPT
SCHEMBL626753 0.76 MAPT (0.52) KMT2AMAPTABCC1ABCC2ALDH1A1
SCHEMBL8510627 0.76 CSNK2A2 (0.45) KMT2ACSNK2A2CSNK2BCSNK2A1MAPT

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 14 patents. 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 claimed
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS CISTIM LEUVEN VZW (BE) 2014-10-02 US claimed
WO-2010130842-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2010-11-18 WO claimed
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
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-20140315927-A1 Inhibitors of HIV Replication VIIV HEALTHCARE UK LIMITED (GB) 2014-10-23 US disclosed
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS CISTIM LEUVEN VZW (BE) 2014-10-02 US disclosed
US-8809363-B2 Inhibitors of HIV replication VIIV HEALTHCARE UK LIMITED (GB) 2014-08-19 US disclosed
US-8785638-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-07-22 US disclosed
US-20120136023-A1 Inhibitors of HIV Replication VIIV HEALTHCARE UK LIMITED (GB) 2012-05-31 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 (4 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 KMT2A 2301/4885APP 3901/4885CYP1A2 3978/4885
US-20120136023-A1 Inhibitors of HIV Replication RTF2, POLRMT, MAVS KMT2A 2301/4885APP 3901/4885CYP1A2 3978/4885
US-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS KMT2A 2903/4885APP 2598/4885CYP1A2 860/4885
US-20140315927-A1 Inhibitors of HIV Replication RTF2, POLRMT, MAVS KMT2A 2301/4885APP 3901/4885CYP1A2 3978/4885

“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.