SCHEMBL134641

SCHEMBL134641

COc1ccc(CC(=O)c2c(N)sc3c2CCC3)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 3/20 0.53
MAPT P10636 9/20 0.52
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 5/20 0.52
HPGD P15428 5/20 0.52
HSD17B10 Q99714 5/20 0.52
ALOX15 P16050 4/20 0.52
GAA P10253 2/20 0.52
MAPK1 P28482 2/20 0.52
TP53 P04637 3/20 0.52
THRB P10828 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.50
USP2 O75604 1/20 0.50
RECQL P46063 1/20 0.50
GLO1 Q04760 1/20 0.49

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
SCHEMBL135663 0.86 RXFP1 (0.65) FLT3MAPTALDH1A1KDM4EHPGD
SCHEMBL134640 0.82 MEN1 (0.67) FLT3MAPTALDH1A1KDM4EHPGD
SCHEMBL4060800 0.82 TDP1 (0.71) FLT3MAPTALDH1A1KDM4EHPGD
SCHEMBL31502646 0.81 MAPT (0.65) FLT3MAPTALDH1A1KDM4EHPGD
SCHEMBL4380481 0.78 MAPT (0.66) FLT3MAPTALDH1A1KDM4EHPGD
SCHEMBL5460296 0.75 FLT3 (0.80) FLT3MAPTTP53THRBTDP1
SCHEMBL20128476 0.75 ALDH1A1 (0.66) FLT3MAPTALDH1A1KDM4EHPGD
SCHEMBL134601 0.73 TDP1 (0.69) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL22543215 0.73 ALDH1A1 (0.62) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL135664 0.72 ALDH1A1 (0.73) FLT3MAPTALDH1A1KDM4EHPGD

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 5 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 disclosed
US-9499563-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-11-22 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-8785638-B2 Thieno [2, 3-B] pyridine derivatives as viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-07-22 US disclosed
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-03-08 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-20140296272-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS FLT3 2523/4885MAPT 2061/4885ALDH1A1 1925/4885
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS FLT3 2523/4885MAPT 2061/4885ALDH1A1 1925/4885

“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.