SCHEMBL5664469

SCHEMBL5664469

CCOP(=O)(CCl)CP(=O)(OCC)OCC

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PPARD Q03181 2/20 0.41
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8862408 0.85 TSHR (0.57) TSHRTP53TDP1PPARDMEN1
SCHEMBL431806 0.78 TSHR (0.60) TSHRTP53TDP1PPARDMEN1
SCHEMBL17826781 0.77 TSHR (0.48) TSHRTP53TDP1PPARDMEN1
SCHEMBL282472 0.77 TSHR (0.67) TSHRTP53TDP1PPARDMEN1
SCHEMBL10040020 0.75 TSHR (0.57) TSHRTP53TDP1PPARDMEN1
SCHEMBL9654507 0.75 TSHR (0.63) TSHRTP53TDP1PPARDMEN1
SCHEMBL4060148 0.71 TSHR (0.52) TSHRTP53TDP1PPARDMEN1
SCHEMBL14902971 0.71 TSHR (0.52) TSHRTP53TDP1PPARDMEN1
SCHEMBL5664086 0.71 TSHR (0.41) TSHRPPARDMEN1KMT2A
Dimethylamine SCHEMBL27510386 0.70 TSHR (0.57) TSHRTP53TDP1PPARDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132427-B2 Quinazolines and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2006-11-07 US disclosed
EP-1463742-A4 NOVEL PYRAZOLO-AND PYRROLO-PYRIMIDINES AND USES THEREOF ARIAD PHARMA INC (US) 2006-05-10 EP disclosed
EP-1412367-A4 NOVEL QUINOLINES AND USES THEREOF ARIAD PHARMA INC (US) 2006-05-03 EP disclosed
US-7019139-B2 Quinolinones and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2006-03-28 US disclosed
EP-1408985-A4 NOVEL PYRIDOPYRIMIDONES AND USES THEREOF ARIAD PHARMA INC (US) 2006-03-22 EP disclosed
US-7009054-B2 Quinolines and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2006-03-07 US disclosed
EP-1408971-A4 NOVEL QUINOLINES AND USES THEREOF ARIAD PHARMA INC (US) 2006-01-25 EP disclosed
US-6960572-B2 Indolinones and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2005-11-01 US disclosed
EP-1408978-A4 NOVEL PHENYLAMINO-PYRIMIDINES AND USES THEREOF ARIAD PHARMA INC (US) 2005-07-13 EP disclosed
US-6878697-B2 Phenylamino-pyrimidines and uses thereof ARIAD PHARMACEUTICALS, INC. (US) 2005-04-12 US disclosed
US-20030100572-A1 Novel pyridopyrimidones and uses thereof ARIAD PHARMACEUTICALS,INC. 2003-05-29 US disclosed
US-20030100573-A1 Novel quinazolines and uses thereof ARIAD PHARMACEUTICALS, INC. 2003-05-29 US disclosed
WO-2003000266-A1 NOVEL QUINOLINES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2003-01-03 WO disclosed
WO-2003000270-A1 NOVEL PYRIDOPYRIMIDONES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2003-01-03 WO disclosed
WO-2003000186-A2 NOVEL PHENYLAMINO-PYRIMIDINES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2003-01-03 WO disclosed
WO-2003000251-A1 NOVEL IDOLINONES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2003-01-03 WO disclosed
WO-2003000011-A2 NOVEL PYRIDOPYRIMIDINES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2003-01-03 WO disclosed
WO-2003000188-A2 NOVEL QUINAZOLINES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2003-01-03 WO disclosed
WO-2003000187-A2 NOVEL PYRAZOLO-AND PYRROLO-PYRIMIDINES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2003-01-03 WO disclosed
WO-2003000705-A1 NOVEL QUINOLINES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2003-01-03 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 (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-20030100572-A1 Novel pyridopyrimidones and uses thereof UQCRB, RRM2B, CYP2B6 TSHR 1337/4885TP53 2808/4885TDP1 1092/4885
US-20030100573-A1 Novel quinazolines and uses thereof UQCRB, NQO2, RAB7A TSHR 2143/4885TP53 3572/4885TDP1 1429/4885

“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.