SCHEMBL135295

SCHEMBL135295

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.51
ELANE P08246 1/20 0.48
CTNNB1 P35222 2/20 0.48
WNT3A P56704 2/20 0.48
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
TSHR P16473 2/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RAB9A P51151 1/20 0.44
PDE4B Q07343 1/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41

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
SCHEMBL139147 0.87 MAPT (0.66) MAPTALDH1A1ELANECTNNB1WNT3A
SCHEMBL30487237 0.87 MAPT (0.66) MAPTALDH1A1ELANECTNNB1WNT3A
SCHEMBL12694462 0.84 MEN1 (0.65) MAPTALDH1A1ELANECYP1A2MEN1
SCHEMBL28537504 0.82 ALDH1A1 (0.52) MAPTALDH1A1ELANECTNNB1WNT3A
SCHEMBL3591477 0.82 CES2 (0.50) MAPTALDH1A1TSHRMEN1KMT2A
SCHEMBL15965424 0.80 CTNNB1 (0.53) MAPTALDH1A1CTNNB1WNT3ATAS1R3
SCHEMBL15965403 0.80 MEN1 (0.60) MAPTALDH1A1CTNNB1WNT3ATAS1R3
SCHEMBL15353806 0.80 MAPT (0.50) MAPTALDH1A1ELANECTNNB1WNT3A
SCHEMBL12694514 0.80 ALDH1A1 (0.61) MAPTALDH1A1ELANECYP1A2CYP2C19
SCHEMBL9902302 0.80 HTT (0.59) MAPTALDH1A1ELANECTNNB1WNT3A

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 MAPT 2061/4885ALDH1A1 1925/4885ELANE 3096/4885
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS MAPT 2061/4885ALDH1A1 1925/4885ELANE 3096/4885

“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.