SCHEMBL5329028

SCHEMBL5329028

COc1cc(Nc2ncnc3c(C)csc23)cc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 7/20 0.56
TP53 P04637 1/20 0.49
EGFR P00533 2/20 0.47
LCK P06239 1/20 0.47
DYRK1A Q13627 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
LPAR1 Q92633 1/20 0.42
LPAR2 Q9HBW0 1/20 0.42
NPC1 O15118 2/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 2/20 0.41
EPAS1 Q99814 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL5315175 0.80 MAPT (0.48) CLK1EGFR
SCHEMBL5334693 0.78 TP53 (0.68) CLK1TP53EGFRLCKDYRK1A
SCHEMBL5641446 0.78 MAPT (0.43) LCKLPAR1LPAR2NPC1RAB9A
SCHEMBL29116330 0.77 MAPT (0.51) CLK1EGFRDYRK1ADYRK1BLPAR1
SCHEMBL13434844 0.76 HTT (0.51) CLK1EGFRNPC1RAB9A
SCHEMBL7892355 0.75 KDR (0.52) CLK1TP53EGFRLPAR1LPAR2
SCHEMBL13434863 0.75 DYRK1A (0.48) CLK1DYRK1ADYRK1B
Hydrochloric Acid SCHEMBL7890195 0.74 KDR (0.51) CLK1TP53EGFRLPAR1LPAR2
SCHEMBL5314379 0.74 EGFR (0.56) CLK1TP53EGFRLCKDYRK1A
SCHEMBL4737834 0.74 FADS1 (0.60) TP53EGFRLCKLPAR2NPC1

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 CLK1 4326/4885TP53 41/4885EGFR 1226/4885

“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.