SCHEMBL5330362

SCHEMBL5330362

COc1cc(OC)c(CNc2ncnc3cc(-c4cccnc4)sc23)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.54
CYP3A4 P08684 11/20 0.54
CYP2D6 P10635 11/20 0.54
CYP2C19 P33261 10/20 0.54
CLK4 Q9HAZ1 10/20 0.54
HSD17B10 Q99714 9/20 0.54
USP2 O75604 5/20 0.54
LMNA P02545 4/20 0.54
MAPK1 P28482 3/20 0.54
CYP2C9 P11712 4/20 0.51
HIF1A Q16665 2/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
EGFR P00533 7/20 0.48
ALDH1A1 P00352 4/20 0.47
ALOX15 P16050 2/20 0.45
TSHR P16473 4/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TUBB4A P04350 1/20 0.43

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
SCHEMBL5380842 0.87 CYP1A2 (0.59) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL5312963 0.84 STAT1 (0.50) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL5313913 0.76 CLK4 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL24466947 0.76 NPR1 (0.66) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL3932470 0.75 EGFR (0.59) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL4071128 0.75 EGFR (0.62) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL4069915 0.73 EGFR (0.72) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL4072924 0.73 CLK4 (0.57) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL4066517 0.72 CLK4 (0.52) CYP1A2CYP3A4CYP2D6CYP2C19CLK4
SCHEMBL5474360 0.72 CLK4 (0.69) CYP1A2CYP3A4CYP2D6CYP2C19CLK4

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
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
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 CYP1A2 795/4885CYP3A4 601/4885CYP2D6 2511/4885

“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.