SCHEMBL136087

SCHEMBL136087

Clc1cccc2c1C(I)CCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.46
AHR P35869 2/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
ADRA1A P35348 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HTR5A P47898 1/20 0.35
LMNA P02545 3/20 0.33
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
HTT P42858 1/20 0.33
OPRL1 P41146 1/20 0.33

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
SCHEMBL19829902 0.80 MAP3K14 (0.45) MAP3K14AHRITGB2ICAM1ITGAL
Hydrochloric Acid SCHEMBL29960492 0.75 MAP3K14 (0.41) MAP3K14AHRHTR1AHTR2COPRL1
SCHEMBL29960744 0.71 MAP3K14 (0.37) MAP3K14OPRL1L3MBTL1CA2
SCHEMBL3787577 0.70 ITGB2 (0.50) AHRITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL9015271 0.68 MAP3K14 (0.35) MAP3K14AHRSMN1; SMN2OPRL1
SCHEMBL20870671 0.68 ITGB2 (0.48) MAP3K14ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL21950419 0.68 ITGB2 (0.48) MAP3K14ITGB2ICAM1ITGALSMN1; SMN2
SCHEMBL28731754 0.68 CA2 (0.41) AHRSMN1; SMN2HTR1AHTR1DHTR2C
SCHEMBL7086464 0.67 MAP3K14 (0.50) MAP3K14ITGB2ICAM1ITGALADRA2A
SCHEMBL3553150 0.66 MAP3K14 (0.45) MAP3K14ITGB2ICAM1ITGALADRA2A

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 8 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
CN-105367583-A THIENO[2, 3-B]PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS UNIV LEUVEN KATH 2016-03-02 CN disclosed
CN-102459280-B Thieno [2,3-b ] pyridine derivatives as inhibitors of viral replication KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-10-14 CN 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
CN-102459280-A Thieno [2,3-b ] pyridine derivatives as inhibitors of viral replication UNIV LEUVEN KATH 2012-05-16 CN 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 MAP3K14 2007/4885AHR 3232/4885ITGB2 4762/4885
US-20120059028-A1 THIENO [2, 3-B] PYRIDINE DERIVATIVES AS VIRAL REPLICATION INHIBITORS TYMP, DUT, MAVS MAP3K14 2007/4885AHR 3232/4885ITGB2 4762/4885

“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.