SCHEMBL2906856

SCHEMBL2906856

Nc1nc(=O)[nH]cc1C#CCCO

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PGK1 P00558 3/20 0.33
TLR8 Q9NR97 1/20 0.33
ASIC3 Q9UHC3 1/20 0.32
CHUK O15111 1/20 0.30

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
SCHEMBL3817459 0.84 TLR8 (0.48) TLR7CYP3A4TLR8
SCHEMBL3819939 0.82 ADORA3 (0.40) TLR7KDM4ECYP1A2CYP3A4MAPT
SCHEMBL3485208 0.81 TLR8 (0.34) PGK1TLR8
SCHEMBL31045510 0.81 TLR8 (0.31) TLR8
SCHEMBL21295321 0.81 KDM4E (0.31) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL28928674 0.72 CHUK (0.32) CHUK
SCHEMBL8676844 0.71 PTPN11 (0.37)
SCHEMBL5822570 0.71 TLR7 (0.31) TLR7
SCHEMBL6512730 0.71
SCHEMBL2931429 0.71 DPYD (0.42) CHUK

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7715989-B2 Systems and methods for predicting oligonucleotide melting temperature (TmS) ELITECH HOLDING B.V. (NL) 2010-05-11 US claimed
US-7553643-B2 Method for amplifying target nucleic acid sequences using a primer comprising an AP endonuclease-cleavable linker EPOCH BIOSCIENCES, INC. (US) 2009-06-30 US claimed
EP-1430147-B1 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS EPOCH BIOSCIENCES INC (US) 2013-05-22 EP disclosed
EP-1975256-B1 Modified oligonucleotides for mismatch discrimination EPOCH BIOSCIENCES INC (US) 2012-07-11 EP disclosed
EP-1261616-B1 MODIFIED OLIGONUCLEOTIDES FOR MISMATCH DISCRIMINATION EPOCH BIOSCIENCES INC (US) 2010-08-18 EP disclosed
US-7751982-B2 TM leveling methods ELITECH HOLDING B.V. (NL) 2010-07-06 US disclosed
US-7715989-B2 Systems and methods for predicting oligonucleotide melting temperature (TmS) ELITECH HOLDING B.V. (NL) 2010-05-11 US disclosed
EP-1995330-A1 Modified oligonucleotides for mismatch discrimination Epoch Biosciences, Inc. (US) 2008-11-26 EP disclosed
EP-1975256-A1 Modified oligonucleotides for mismatch discrimination Epoch Biosciences, Inc. (US) 2008-10-01 EP disclosed
EP-1944310-A2 Modified oligonucleotides for mismatch discrimination Epoch Biosciences, Inc. (US) 2008-07-16 EP disclosed
EP-1537488-A4 SYSTEMS AND METHODS FOR PREDICTING OLIGONUCLEOTIDE MELTING TEMPERATURES (TMS) EPOCH BIOSCIENCES INC (US) 2008-07-02 EP disclosed
EP-1430147-A1 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS Epoch Biosciences, Inc. (US) 2004-06-23 EP disclosed
WO-2002099141-A9 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS EPOCH BIOSCIENCES INC (US) 2004-05-27 WO disclosed
US-6683173-B2 CONJUGATING OLIGONUCLEOTIDE WITH 3-SUBSTITUTED PYRAZOLO(3,4-D)PYRIMIDINES AND/OR 5-SUBSTITUTED PYRIMIDINE MINOR GROOVE BINDER EPOCH BIOSCIENCES, INC. 2004-01-27 US disclosed
US-20030235822-A1 Systems and methods for predicting oligonucleotide melting temperature (TmS) EPOCH BIOSCIENCES, INC. 2003-12-25 US disclosed
WO-2003107144-A2 SYSTEMS AND METHODS FOR PREDICTING OLIGONUCLEOTIDE MELTING TEMPERATURES (TMS) EPOCH BIOSCIENCES, INC. (US) 2003-12-24 WO disclosed
US-20030224359-A1 TMLEVELING METHODS EPOCH BIOSCIENCES, INC. 2003-12-04 US disclosed
WO-2002099141-A1 FLUORESCENT QUENCHING DETECTION REAGENTS AND METHODS EPOCH BIOSCIENCES, INC. (US) 2002-12-12 WO disclosed
EP-1261616-A2 MODIFIED OLIGONUCLEOTIDES FOR MISMATCH DISCRIMINATION Epoch Biosciences, Inc. (US) 2002-12-04 EP disclosed
WO-2001064958-A2 MODIFIED OLIGONUCLEOTIDES FOR MISMATCH DISCRIMINATION EPOCH BIOSCIENECS, INC. (US) 2001-09-07 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-20030224359-A1 TMLEVELING METHODS PTBP3, RNGTT, DTYMK TLR7 1716/4885KDM4E 3177/4885ALDH1A1 3283/4885

“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.