SCHEMBL1195232

SCHEMBL1195232

CCOC(=O)c1sc2nc(N)c(C#N)c(-c3ccccc3)c2c1N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.68
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
NPSR1 Q6W5P4 2/20 0.68
HSP90AB1 P08238 1/20 0.65
ALDH1A1 P00352 8/20 0.64
HPGD P15428 4/20 0.64
MAPK1 P28482 3/20 0.64
KDM4E B2RXH2 5/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
GAA P10253 2/20 0.60
HTT P42858 2/20 0.60
BRAF P15056 2/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
PIM1 P11309 1/20 0.56
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
HSD17B10 Q99714 2/20 0.51
GLA P06280 1/20 0.51
CASP1 P29466 1/20 0.51

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
SCHEMBL1195762 0.85 BRAF (0.68) MAPTMEN1KMT2ANPSR1HSP90AB1
SCHEMBL1776866 0.85 BRAF (0.79) MAPTMEN1KMT2ANPSR1HSP90AB1
SCHEMBL1195193 0.84 MEN1 (0.64) MAPTMEN1KMT2ANPSR1HSP90AB1
SCHEMBL1775711 0.84 BRAF (0.81) MAPTMEN1KMT2ANPSR1HSP90AB1
SCHEMBL12873669 0.84 KMT2A (0.62) MAPTMEN1KMT2ANPSR1HSP90AB1
SCHEMBL12888636 0.83 MEN1 (0.66) MAPTMEN1KMT2ANPSR1HSP90AB1
SCHEMBL12889083 0.82 MEN1 (0.65) MAPTMEN1KMT2ANPSR1HSP90AB1
SCHEMBL12888639 0.81 ALDH1A1 (0.62) MAPTMEN1KMT2ANPSR1HSP90AB1
SCHEMBL12888663 0.80 MEN1 (0.59) MAPTMEN1KMT2ANPSR1HSP90AB1
SCHEMBL12889057 0.79 KMT2A (0.58) MAPTMEN1KMT2ANPSR1HSP90AB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034457-A1 Pyridothiophene Compounds VERNALIS (CAMBRIDGE) LIMITED. (GB) 2011-02-10 US disclosed
US-20070213328-A1 Pyridothiophene Compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-09-13 US disclosed
EP-1680108-A1 PYRIDOTHIOPHENE COMPOUNDS Vernalis (Cambridge) Limited (GB) 2006-07-19 EP disclosed
WO-2005034950-A1 PYRIDOTHIOPHENE COMPOUNDS VERNALIS (CAMBRIDGE) LIMITED (GB) 2005-04-21 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-20070213328-A1 Pyridothiophene Compounds ALK, HSP90AB1, HSP90AA1 MAPT 881/4885MEN1 3417/4885KMT2A 854/4885
US-20110034457-A1 Pyridothiophene Compounds ALK, HSP90AB1, HSP90AA1 MAPT 866/4885MEN1 3418/4885KMT2A 844/4885

“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.