SCHEMBL5316796

SCHEMBL5316796

CN(Cc1ccc2c(c1)OOC2)c1ncnc2cc(-c3cccnc3)sc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 7/20 0.42
CLK4 Q9HAZ1 6/20 0.41
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
ALDH1A1 P00352 4/20 0.41
CYP2C19 P33261 4/20 0.41
HIF1A Q16665 3/20 0.41
CYP2D6 P10635 3/20 0.41
MAPK1 P28482 3/20 0.41
HSD17B10 Q99714 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
KMT2A Q03164 1/20 0.41
CSF1R P07333 3/20 0.40
EGFR P00533 1/20 0.40
CYP2C9 P11712 1/20 0.37
MAPT P10636 2/20 0.36

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
SCHEMBL5316797 0.85 GBA1 (0.58) GBA1CLK4CYP1A2CYP3A4ALDH1A1
SCHEMBL4073207 0.73 IKBKB (0.53) ALDH1A1HIF1AMAPK1HSD17B10LMNA
SCHEMBL5579366 0.66 NPC1 (0.49) CLK4CYP1A2CYP3A4ALDH1A1HIF1A
SCHEMBL4068192 0.66 EGFR (0.59) ALDH1A1HIF1ALMNAHPGDKMT2A
SCHEMBL5474360 0.65 CLK4 (0.69) CLK4CYP1A2CYP3A4ALDH1A1CYP2C19
SCHEMBL5313913 0.61 CLK4 (0.52) CLK4CYP1A2CYP3A4ALDH1A1CYP2C19
SCHEMBL5312963 0.60 STAT1 (0.50) CLK4CYP1A2CYP3A4ALDH1A1CYP2C19
SCHEMBL18354460 0.59 GBA1 (1.00) GBA1CLK4CYP1A2CYP3A4ALDH1A1
SCHEMBL18353872 0.59 GBA1 (1.00) GBA1CLK4CYP1A2CYP3A4ALDH1A1
SCHEMBL24466947 0.58 NPR1 (0.66) CLK4CYP1A2CYP3A4ALDH1A1CYP2C19

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 4330/4885CYP1A2 795/4885

“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.