SCHEMBL5344442

SCHEMBL5344442

COc1ccc(CNc2ncnc3cc(I)sc23)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT1 P42224 1/20 0.57
TNF P01375 1/20 0.56
NOD1 Q9Y239 1/20 0.56
PDE5A O76074 3/20 0.53
HTT P42858 4/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
STAT3 P40763 1/20 0.49
EGFR P00533 4/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.48
APP P05067 2/20 0.47
LCK P06239 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL5472059 0.86 MEN1 (0.58) PDE5AHTTMEN1KMT2AKDM4E
SCHEMBL5334075 0.82 LMNA (0.55) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL5315968 0.80 CYP1A2 (0.56) MEN1KMT2AKDM4EALDH1A1MAPK1
SCHEMBL5312963 0.79 STAT1 (0.50) STAT1TNFNOD1PDE5AMEN1
SCHEMBL5473126 0.76 PDE5A (0.64) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4868010 0.76 APP (0.78) STAT1TNFNOD1PDE5AHTT
SCHEMBL5334395 0.74 EGFR (0.51) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7500245 0.73 STAT1 (0.83) STAT1TNFNOD1PDE5AHTT
Hydrochloric Acid SCHEMBL5467058 0.73 EGFR (0.50) HTTMEN1KMT2AKDM4EALDH1A1
SCHEMBL7404118 0.71 TNF (1.00) STAT1TNFNOD1PDE5AHTT

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 STAT1 541/4885TNF 3221/4885NOD1 529/4885

“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.