SCHEMBL5333554

SCHEMBL5333554

COc1ccc(Nc2ncnc3ccsc23)c(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
MEN1 O00255 2/20 0.67
ALDH1A1 P00352 2/20 0.61
MAPK1 P28482 2/20 0.61
HPGD P15428 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
NPC1 O15118 1/20 0.60
NCOA1 Q15788 1/20 0.60
NCOA3 Q9Y6Q9 1/20 0.60
MAPT P10636 5/20 0.55
DYRK1A Q13627 1/20 0.54
DYRK1B Q9Y463 1/20 0.54
HTT P42858 1/20 0.54
CSNK2A1 P68400 1/20 0.52
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 1/20 0.51
SHMT2 P34897 1/20 0.51
SRC P12931 2/20 0.50
EGFR P00533 2/20 0.49

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
Hydrochloric Acid SCHEMBL5473031 0.99 MEN1 (0.65) KMT2AMEN1ALDH1A1MAPK1HPGD
SCHEMBL5317160 0.91 MEN1 (0.55) KMT2AMEN1ALDH1A1MAPK1HPGD
SCHEMBL13434851 0.86 DYRK1A (0.55) KMT2AMEN1ALDH1A1MAPK1HPGD
SCHEMBL5458331 0.84 MEN1 (0.47) KMT2AMEN1ALDH1A1MAPK1HPGD
SCHEMBL5313425 0.83 HTT (0.56) ALDH1A1MAPK1HPGDSMN1; SMN2MAPT
SCHEMBL5317272 0.81 HTT (0.54) KMT2AMEN1HTTEGFRFADS1
SCHEMBL5468539 0.80 PIP4K2C (0.64) KMT2AMEN1ALDH1A1HPGDSMN1; SMN2
SCHEMBL5337350 0.80 EGFR (0.52) KMT2AMEN1ALDH1A1MAPK1HPGD
SCHEMBL5314819 0.80 FADS1 (0.58) MAPK1SRCEGFRLMNAFADS1
SCHEMBL5463906 0.80 EGFR (0.49) KMT2AMEN1HTTSRCEGFR

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-20070099877-A1 N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-05-03 US claimed
WO-2007056215-A9 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA INC (US) 2007-09-13 WO disclosed
WO-2007056215-A2 N-ARYL-THIENOPYRIMIDIN-4-AMINES AND THE USE THEREOF CYTOVIA, INC. (US) 2007-05-18 WO disclosed
US-20070099877-A1 N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-05-03 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 (1 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-20070099877-A1 N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP3, API5 KMT2A 3038/4885MEN1 1984/4885ALDH1A1 1132/4885

“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.