SCHEMBL5665372

SCHEMBL5665372

O=C(O)C(O)P(=O)(O)c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRA P18433 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
LMNA P02545 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
P4HTM Q9NXG6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FDPS P14324 4/20 0.41
NPSR1 Q6W5P4 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
KMT2A Q03164 2/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
MEN1 O00255 1/20 0.37
PSMD14 O00487 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL5669955 0.80 FDPS (0.46) PTPRAKDM4ECA2CA1LMNA
SCHEMBL5884240 0.76 FDPS (0.40) PTPRACA2CA1LMNANAPRT
SCHEMBL5670294 0.76 FDPS (0.40) PTPRACA2CA1LMNANAPRT
SCHEMBL5750240 0.75 FDPS (0.45) KDM4ECA2CA1FDPSNPSR1
SCHEMBL5664700 0.75 CA2 (0.50) CA2LMNANPSR1KMT2ACA4
SCHEMBL29822627 0.74 CA2 (0.54) KDM4ECA2CA1LMNANAPRT
SCHEMBL1400873 0.74 CA2 (0.54) KDM4ECA2CA1LMNANAPRT
SCHEMBL5060264 0.73 GGH (0.39) PTPRAFDPSALDH1A1CYP1A2CYP2C19
Water SCHEMBL28253140 0.72 CA2 (0.52) KDM4ECA2CA1LMNANAPRT
SCHEMBL26685804 0.72 CA2 (0.64) KDM4ECA2CA1LMNANAPRT

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 31 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
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-20040242611-A1 NOVEL PHENYLAMINO-PYRIMIDINES AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-02 US disclosed
US-20030105115-A1 Novel pyridopyrimidines and uses thereof ARIAD PHARMACEUTICALS, INC. 2003-06-05 US disclosed
US-20030105065-A1 Novel quinolines and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-06-05 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-2003000187-A2 NOVEL PYRAZOLO-AND PYRROLO-PYRIMIDINES AND USES THEREOF ARIAD PHARMACEUTICALS, INC. (US) 2003-01-03 WO disclosed
WO-2003000266-A1 NOVEL QUINOLINES 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-2003000705-A1 NOVEL QUINOLINES 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-2003000186-A2 NOVEL PHENYLAMINO-PYRIMIDINES 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 (5 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-20030105065-A1 Novel quinolines and uses thereof UQCRB, RECQL, QTRT2 PTPRA 4740/4885KDM4E 3193/4885CA2 3873/4885
US-20040242611-A1 NOVEL PHENYLAMINO-PYRIMIDINES AND USES THEREOF DPYD, TYMP, DDX41 PTPRA 2602/4885KDM4E 2425/4885CA2 4814/4885
US-20030100572-A1 Novel pyridopyrimidones and uses thereof UQCRB, RRM2B, CYP2B6 PTPRA 1445/4885KDM4E 3580/4885CA2 4602/4885
US-20030105115-A1 Novel pyridopyrimidines and uses thereof DPYD, RRM2B, RRM2 PTPRA 960/4885KDM4E 2965/4885CA2 4448/4885
US-20030100573-A1 Novel quinazolines and uses thereof UQCRB, NQO2, RAB7A PTPRA 4541/4885KDM4E 3990/4885CA2 3766/4885

“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.