SCHEMBL138885

SCHEMBL138885

COc1cc(C)ccc1C(=O)CC#N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.50
TDO2 P48775 1/20 0.50
MAPT P10636 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
KCNH2 Q12809 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
ACHE P22303 1/20 0.43
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CTNNB1 P35222 1/20 0.41
WNT3A P56704 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
HTT P42858 5/20 0.41
LMNA P02545 4/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PLAU P00749 1/20 0.40

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
SCHEMBL23292497 0.84 SMN1; SMN2 (0.57) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL28573906 0.83 SMN1; SMN2 (0.51) IDO1TDO2MAPTMEN1KMT2A
SCHEMBL26672152 0.83 KCNH2 (0.46) MAPTMEN1KMT2AKCNH2CYP1A2
SCHEMBL23292560 0.83 MEN1 (0.59) MAPTMEN1KMT2AKCNH2CYP1A2
SCHEMBL741500 0.82 MAPT (0.60) IDO1TDO2MAPTMEN1KMT2A
SCHEMBL28910604 0.82 CA12 (0.54) MAPTALDH1A1HTTLMNAHPGD
SCHEMBL6120614 0.80 MAPT (0.42) IDO1TDO2MAPTMEN1KMT2A
SCHEMBL2258007 0.80 IDO1 (0.55) IDO1TDO2MAPTMEN1KMT2A
SCHEMBL4850349 0.80 KCNH2 (0.50) MAPTMEN1KMT2AKCNH2CYP1A2
SCHEMBL4355417 0.79 HPGDS (0.55) IDO1TDO2MAPTMEN1KMT2A

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 7 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
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 (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 IDO1 65/4885TDO2 523/4885MAPT 2061/4885
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS IDO1 65/4885TDO2 523/4885MAPT 2061/4885

“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.