SCHEMBL12889083

SCHEMBL12889083

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

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.65
KMT2A Q03164 5/20 0.65
ALDH1A1 P00352 5/20 0.65
NPSR1 Q6W5P4 4/20 0.65
HPGD P15428 3/20 0.65
MAPK1 P28482 2/20 0.65
MAPT P10636 6/20 0.61
BRAF P15056 2/20 0.60
HSP90AB1 P08238 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
USP2 O75604 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
CHRM4 P08173 2/20 0.51
PIM1 P11309 1/20 0.49
GSK3B P49841 4/20 0.48
LMNA P02545 1/20 0.47
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL12888636 0.90 MEN1 (0.66) MEN1KMT2AALDH1A1NPSR1HPGD
SCHEMBL1195193 0.88 MEN1 (0.64) MEN1KMT2AALDH1A1NPSR1HPGD
SCHEMBL1195762 0.86 BRAF (0.68) MEN1KMT2AALDH1A1NPSR1HPGD
SCHEMBL12888639 0.85 ALDH1A1 (0.62) MEN1KMT2AALDH1A1NPSR1HPGD
SCHEMBL1775711 0.85 BRAF (0.81) MEN1KMT2AALDH1A1NPSR1HPGD
SCHEMBL12888663 0.84 MEN1 (0.59) MEN1KMT2AALDH1A1NPSR1HPGD
SCHEMBL12889003 0.84 BRAF (0.60) MEN1KMT2AALDH1A1NPSR1HPGD
SCHEMBL12889057 0.84 KMT2A (0.58) MEN1KMT2AALDH1A1NPSR1HPGD
SCHEMBL12889085 0.84 KMT2A (0.58) MEN1KMT2AALDH1A1NPSR1HPGD
SCHEMBL12888660 0.82 KMT2A (0.59) MEN1KMT2AALDH1A1NPSR1HPGD

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 3 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
US-20070213328-A1 Pyridothiophene Compounds VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-09-13 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-20070213328-A1 Pyridothiophene Compounds ALK, HSP90AB1, HSP90AA1 MEN1 3417/4885KMT2A 854/4885ALDH1A1 37/4885
US-20110034457-A1 Pyridothiophene Compounds ALK, HSP90AB1, HSP90AA1 MEN1 3418/4885KMT2A 844/4885ALDH1A1 39/4885

“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.