SCHEMBL5316797

SCHEMBL5316797

CN(Cc1ccc2c(c1)OCO2)c1ncnc2cc(-c3cccnc3)sc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.58
CLK4 Q9HAZ1 14/20 0.49
CLK1 P49759 10/20 0.49
CLK2 P49760 9/20 0.49
DYRK1A Q13627 9/20 0.49
DYRK1B Q9Y463 9/20 0.49
CLK3 P49761 6/20 0.49
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
CYP1A2 P05177 4/20 0.43
CYP3A4 P08684 4/20 0.43
CYP2D6 P10635 4/20 0.43
MAPK1 P28482 4/20 0.43
CYP2C19 P33261 4/20 0.43
HSD17B10 Q99714 4/20 0.43
TSHR P16473 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
CYP2C9 P11712 2/20 0.43
KDM4E B2RXH2 2/20 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
SCHEMBL5316796 0.85 GBA1 (0.42) GBA1CLK4CLK1CLK2DYRK1A
SCHEMBL5474360 0.79 CLK4 (0.69) CLK4CLK1DYRK1ACYP1A2CYP3A4
SCHEMBL4073207 0.74 IKBKB (0.53) MAPK1HSD17B10TSHRALDH1A1LMNA
SCHEMBL18353872 0.74 GBA1 (1.00) GBA1CLK4CYP1A2CYP3A4CYP2D6
SCHEMBL4069658 0.73 EGFR (0.47) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL4075049 0.71 MAP3K8 (0.45) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL4074719 0.71 EGFR (0.46) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL4071957 0.71 CLK4 (0.45) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL4068214 0.70 CLK4 (0.42) CLK4CLK1CLK2DYRK1ADYRK1B
SCHEMBL3933682 0.70 STK17B (0.44) CLK4CLK1CLK2DYRK1ADYRK1B

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
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 GBA1 3065/4885CLK4 4330/4885CLK1 4078/4885

“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.