SCHEMBL1880335

SCHEMBL1880335

CC(=C(C#N)C(N)=S)c1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 2/20 0.47
TSHR P16473 1/20 0.47
KCNH2 Q12809 1/20 0.47
PARP1 P09874 1/20 0.45
CTSL P07711 4/20 0.43
CTSB P07858 2/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
RAB9A P51151 4/20 0.38
MAPT P10636 3/20 0.38
NPC1 O15118 3/20 0.38
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL8240470 1.00 MAPK10 (0.47) MAPK10TSHRKCNH2PARP1CTSL
SCHEMBL1876605 0.80 ALDH1A1 (0.41) RAB9AMAPTNPC1POLBALDH1A1
SCHEMBL8234794 0.80 ALDH1A1 (0.41) RAB9AMAPTNPC1POLBALDH1A1
SCHEMBL1876606 0.80 ALDH1A1 (0.41) RAB9AMAPTNPC1POLBALDH1A1
SCHEMBL12671959 0.79 PARP1 (0.52) PARP1CTSLCTSBCES2CES1
SCHEMBL11410237 0.72 TSHR (0.47) MAPK10TSHRKCNH2RAB9AHDAC1
SCHEMBL11410241 0.72 TSHR (0.47) MAPK10TSHRKCNH2RAB9AHDAC1
SCHEMBL11416679 0.72 MAPK10 (0.46) MAPK10TSHRKCNH2TP53MEN1
SCHEMBL8308827 0.71 GABRA1 (0.44) TSHRRAB9AMAPTNPC1POLB
SCHEMBL8308825 0.71 GABRA1 (0.44) TSHRRAB9AMAPTNPC1POLB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105496-A1 Methods For The Treatment Of Myosin Heavy Chain-Mediated Conditions Using 4,7-Dihydrothieno[2,3-B]Pyridine Compounds GILEAD COLORADO, INC. 2011-05-05 US disclosed
US-20090306373-A1 4,7-DIHYDROTHIENO[2,3-B]PYRIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS GILEAD COLORADO, INC. 2009-12-10 US disclosed
EP-1965796-A2 4,7-DIHYDROTHIENO[2,3-B]PYRIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS Gilead Colorado, Inc. (US) 2008-09-10 EP disclosed
EP-1962840-A1 USE OF 4, 7-DIHYDROTHIENO [2, 3-B]PYRIDINE COMPOUNDS IN THE TREATMENT OF CARDIOVASCULAR DISEASES Gilead Colorado, Inc. (US) 2008-09-03 EP disclosed
WO-2007076379-A2 4,7-DIHYDROTHIENO[2,3-B]PYRIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS GILEAD COLORADO, INC. (US) 2007-07-05 WO disclosed
WO-2007073555-A1 USE OF 4, 7-DIHYDROTHIENO [2, 3-B] PYRIDINE COMPOUNDS IN THE TREATMENT OF CARDIOVASCULAR DISEASES GILEAD COLORADO, INC. (US) 2007-06-28 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-20090306373-A1 4,7-DIHYDROTHIENO[2,3-B]PYRIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS MYH2, TNNT2, MYLK2 MAPK10 1390/4885TSHR 4340/4885KCNH2 481/4885
US-20110105496-A1 Methods For The Treatment Of Myosin Heavy Chain-Mediated Conditions Using 4,7-Dihydrothieno[2,3-B]Pyridine Compounds MYH2, MYLK2, TNNI3 MAPK10 2710/4885TSHR 4190/4885KCNH2 771/4885

“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.