SCHEMBL1876606

SCHEMBL1876606

CC(=C(C#N)C(N)=S)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
MAPT P10636 5/20 0.41
NPSR1 Q6W5P4 3/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
RAB9A P51151 2/20 0.41
XBP1 P17861 1/20 0.41
GAA P10253 3/20 0.40
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ATM Q13315 1/20 0.40
METTL3 Q86U44 1/20 0.40
KMT2A Q03164 2/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
C1S P09871 1/20 0.36
PRSS3 P35030 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
ESR1 P03372 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
SCHEMBL1876605 1.00 ALDH1A1 (0.41) ALDH1A1MAPTNPSR1LMNAMAPK1
SCHEMBL8234794 1.00 ALDH1A1 (0.41) ALDH1A1MAPTNPSR1LMNAMAPK1
SCHEMBL8308827 0.82 GABRA1 (0.44) ALDH1A1MAPTLMNAMAPK1RAB9A
SCHEMBL8308825 0.82 GABRA1 (0.44) ALDH1A1MAPTLMNAMAPK1RAB9A
SCHEMBL29896987 0.81 GABRA1 (0.50) ALDH1A1MAPTNPSR1LMNAMAPK1
SCHEMBL9657793 0.81 POLB (0.42) ALDH1A1MAPTNPSR1LMNAMAPK1
SCHEMBL8240470 0.80 MAPK10 (0.47) ALDH1A1MAPTLMNAMAPK1RAB9A
SCHEMBL1880335 0.80 MAPK10 (0.47) ALDH1A1MAPTLMNAMAPK1RAB9A
SCHEMBL3289274 0.77 ALDH1A1 (0.51) ALDH1A1MAPTNPSR1LMNAMAPK1
SCHEMBL2566020 0.77 ALDH1A1 (0.51) ALDH1A1MAPTNPSR1LMNAMAPK1

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 ALDH1A1 1395/4885MAPT 352/4885NPSR1 4642/4885
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 ALDH1A1 1481/4885MAPT 1095/4885NPSR1 4416/4885

“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.