SCHEMBL5317153

SCHEMBL5317153

Cc1cc(Nc2ncnc3ccsc23)no1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.50
FADS1 O60427 1/20 0.50
PIP4K2C Q8TBX8 1/20 0.49
NTRK1 P04629 2/20 0.47
FLT1 P17948 1/20 0.46
BRAF P15056 1/20 0.46
TNNI3K Q59H18 1/20 0.46
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.43
SYK P43405 1/20 0.41
AURKB Q96GD4 3/20 0.41
AURKA O14965 2/20 0.41
SLC2A1 P11166 1/20 0.41
AXL P30530 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41

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 SCHEMBL5461690 0.99 EGFR (0.49) EGFRFADS1PIP4K2CNTRK1FLT1
SCHEMBL29996968 0.77 PAK1 (0.54) EGFRFADS1PIP4K2CFLT1BRAF
SCHEMBL5455935 0.77 EGFR (0.62) EGFRFADS1PIP4K2CNTRK1FLT1
SCHEMBL21542003 0.75 KDR (0.54) EGFRFADS1PIP4K2CNTRK1FLT1
SCHEMBL30808036 0.72 PDE4A (0.55) EGFRFADS1PIP4K2CNTRK1FLT1
SCHEMBL18878177 0.72 PDE4A (0.55) EGFRFADS1PIP4K2CNTRK1FLT1
SCHEMBL7125304 0.71 FADS1 (0.52) EGFRFADS1PIP4K2CNTRK1FLT1
SCHEMBL13243037 0.71 AURKA (0.72) NTRK1IRAK4AURKBAURKAAXL
SCHEMBL5579180 0.70 AXL (0.39) EGFRFADS1PIP4K2CBRAFTNNI3K
SCHEMBL5464114 0.70 EGFR (0.45) EGFRFADS1PIP4K2CNTRK1FLT1

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-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-09-13 US disclosed
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 (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-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP10, CASP4, CASP3 EGFR 1334/4885FADS1 1429/4885PIP4K2C 2247/4885
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 EGFR 1226/4885FADS1 1782/4885PIP4K2C 2195/4885

“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.