SCHEMBL5311745

SCHEMBL5311745

COc1ccc(OC)c(Nc2ncnc3sc(C)cc23)c1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.70
MEN1 O00255 6/20 0.70
KMT2A Q03164 6/20 0.70
KDM4E B2RXH2 4/20 0.70
ALDH1A1 P00352 4/20 0.70
HPGD P15428 2/20 0.70
RAB9A P51151 3/20 0.70
NPC1 O15118 3/20 0.70
CLK1 P49759 1/20 0.65
POLB P06746 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
SHMT2 P34897 1/20 0.59
CTDSP1 Q9GZU7 1/20 0.59
GALR3 O60755 1/20 0.55
NR2F2 P24468 1/20 0.55
MAPK1 P28482 3/20 0.54
FGFR1 P11362 1/20 0.53
GAA P10253 3/20 0.52
HSD17B10 Q99714 2/20 0.51
HTT P42858 2/20 0.51

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
Hydrochloric Acid SCHEMBL5463629 0.99 MEN1 (0.72) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL3800438 0.86 RAB9A (0.63) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5333347 0.84 MAPT (0.54) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5315815 0.82 KDM4E (1.00) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5466877 0.81 MEN1 (0.84) MAPTMEN1KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL5369266 0.80 MEN1 (0.82) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5467523 0.79 RAB9A (0.76) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5467182 0.79 MAPT (0.56) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5463611 0.77 MAPT (0.62) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL17792784 0.76 KDM4E (0.67) MAPTMEN1KMT2AKDM4EALDH1A1

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 MAPT 4267/4885MEN1 1984/4885KMT2A 3038/4885

“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.