SCHEMBL5455292

SCHEMBL5455292

COc1ccc(Nc2ncnc3scc(C)c23)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.73
ALDH1A1 P00352 1/20 0.73
HPGD P15428 1/20 0.73
HTT P42858 1/20 0.73
FGFR1 P11362 3/20 0.70
MAPT P10636 5/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
MAPK1 P28482 1/20 0.65
PIP4K2C Q8TBX8 1/20 0.65
TP53 P04637 2/20 0.61
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
POLB P06746 1/20 0.60
EGFR P00533 3/20 0.57
KDR P35968 2/20 0.57
PDGFRB P09619 1/20 0.57
DYRK3 O43781 2/20 0.50
MAP4K4 O95819 2/20 0.50
PIM1 P11309 2/20 0.50

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
SCHEMBL5334693 0.86 TP53 (0.68) LMNAALDH1A1HPGDHTTFGFR1
SCHEMBL4908388 0.86 PIP4K2C (0.61) LMNAALDH1A1HPGDHTTFGFR1
Hydrochloric Acid SCHEMBL810092 0.85 PIP4K2C (0.60) LMNAALDH1A1HPGDHTTFGFR1
SCHEMBL3345046 0.83 TP53 (0.69) LMNAALDH1A1HPGDHTTFGFR1
SCHEMBL5463611 0.82 MAPT (0.62) LMNAALDH1A1HPGDHTTFGFR1
Hydrochloric Acid SCHEMBL5474323 0.81 MAPT (0.61) LMNAALDH1A1HPGDHTTFGFR1
SCHEMBL5467454 0.81 MAPT (0.54) LMNAALDH1A1HPGDHTTFGFR1
SCHEMBL3342319 0.81 CCNC (0.70) LMNAALDH1A1HPGDHTTFGFR1
Hydrochloric Acid SCHEMBL5462520 0.80 MAPT (0.53) LMNAALDH1A1HPGDHTTFGFR1
SCHEMBL12392601 0.80 LMNA (0.48) LMNAALDH1A1HPGDHTTFGFR1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-09-13 US disclosed
US-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-09-13 US disclosed
US-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2007-09-13 US disclosed
WO-2007056214-A2 N-ALKYL-N-ARYL-THIENOPYRIMIDIN-R-AMINES AND USES 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 (2 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-20070213305-A1 N-alkyl-N-aryl-thienopyrimidin-4-amines and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP10, CASP4, CASP3 LMNA 369/4885ALDH1A1 1247/4885HPGD 2073/4885
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 LMNA 822/4885ALDH1A1 1132/4885HPGD 1628/4885

“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.