SCHEMBL1887779

SCHEMBL1887779

COCc1ccc(N)cc1COC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
GAA P10253 3/20 0.50
MAPK1 P28482 2/20 0.50
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
PRKCI P41743 1/20 0.38
KDM4E B2RXH2 3/20 0.37
ACHE P22303 1/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 6/20 0.36
TDP1 Q9NUW8 3/20 0.36
PRKCE Q02156 2/20 0.36
MYLK Q15746 2/20 0.36
MEN1 O00255 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCA P17252 1/20 0.36
APEX1 P27695 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 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
SCHEMBL29354986 0.84 MAPT (0.44) MAPTGAAMAPK1TSHRHTT
SCHEMBL19899827 0.84 MAPT (0.44) MAPTGAAMAPK1TSHRHTT
SCHEMBL108757 0.84 MAPT (0.44) MAPTGAAMAPK1TSHRHTT
SCHEMBL2131109 0.84 MAPT (0.48) MAPTGAAMAPK1TSHRHTT
SCHEMBL27309614 0.83 ALDH1A1 (0.48) MAPTGAAMAPK1TSHRHTT
SCHEMBL29589613 0.83 ALDH1A1 (0.48) MAPTGAAMAPK1TSHRHTT
SCHEMBL4018262 0.83 ALDH1A1 (0.48) MAPTGAAMAPK1TSHRHTT
Hydrochloric Acid SCHEMBL7132484 0.83 MAPT (0.42) MAPTGAAMAPK1TSHRHTT
Bromide SCHEMBL26108834 0.83 MAPT (0.42) MAPTGAAMAPK1TSHRHTT
Hydrochloric Acid SCHEMBL6256039 0.83 MAPT (0.42) MAPTGAAMAPK1TSHRHTT

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-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT AUCKLAND UNISERVICES LIMITED (NZ) 2011-05-05 US disclosed
EP-1745047-B1 PYRAZOLO[4,3-E]-1,2,4-TRIAZOLO[1,5-C]PYRIMIDINE ADENOSINE-A2A- RECEPTOR ANTAGONISTS SCHERING CORP (US) 2010-03-24 EP disclosed
WO-2009114552-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2009-09-17 WO disclosed
EP-1622912-B1 2-ALKYNYL-AND 2-ALKENYL-PYRAZOLO- [4,3-E ] -1,2,4-TRIAZOLO- [1,5-C] -PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORP (US) 2009-05-27 EP disclosed
WO-2005103055-A1 PYRAZOLO-[4,3-e]-1,2,4-TRIAZOLO-[1,5-c]-PYRIMIDINE ADENOSINE A2A RECEPTOR ANTAGONISTS SCHERING CORPORATION (US) 2005-11-03 WO 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-20110105436-A1 HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE IN CANCER TREATMENT VHL, TP53, BECN1 MAPT 2506/4885GAA 79/4885MAPK1 4340/4885

“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.