SCHEMBL5334075

SCHEMBL5334075

COc1ccc(OC)c(CNc2ncnc3cc(I)sc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.55
AURKA O14965 1/20 0.48
RPS6KB1 P23443 1/20 0.48
TP53 P04637 1/20 0.47
ALDH1A1 P00352 7/20 0.46
CYP1A2 P05177 7/20 0.46
CYP3A4 P08684 7/20 0.46
CYP2C19 P33261 7/20 0.46
HSD17B10 Q99714 7/20 0.46
TSHR P16473 6/20 0.46
CYP2D6 P10635 6/20 0.46
CLK4 Q9HAZ1 6/20 0.46
CYP2C9 P11712 5/20 0.46
MAPK1 P28482 5/20 0.46
ALOX15 P16050 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46

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
SCHEMBL5315968 0.91 CYP1A2 (0.56) LMNAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL5472059 0.84 MEN1 (0.58) LMNAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL5344442 0.82 STAT1 (0.57) LMNAALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL5334395 0.81 EGFR (0.51) LMNAALDH1A1HSD17B10MAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL5467058 0.81 EGFR (0.50) LMNAALDH1A1HSD17B10MAPK1SMN1; SMN2
SCHEMBL5380842 0.80 CYP1A2 (0.59) LMNAAURKARPS6KB1ALDH1A1CYP1A2
SCHEMBL4864339 0.77 EGFR (0.67) LMNAAURKARPS6KB1ALDH1A1CYP1A2
SCHEMBL4921670 0.71 AURKA (0.56) LMNAAURKARPS6KB1TP53ALDH1A1
SCHEMBL4071128 0.71 EGFR (0.62) LMNAALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL5317020 0.71 CLK1 (0.56) LMNATP53CLK4SMN1; SMN2HTT

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
WO-2007056208-A2 N-ARYLALKYL-THIENOPYRIMIDIN-4-AMINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2007-05-18 WO claimed
US-20070099941-A1 N-arylalkyl-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-2007056208-A2 N-ARYLALKYL-THIENOPYRIMIDIN-4-AMINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2007-05-18 WO disclosed
US-20070099941-A1 N-arylalkyl-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-20070099941-A1 N-arylalkyl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP10, CASP3, CASP4 LMNA 932/4885AURKA 228/4885RPS6KB1 1461/4885

“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.