SCHEMBL2472419

SCHEMBL2472419

CCOC(=O)C(=Cc1cccc(C=O)c1)C(=O)OCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.68
MEN1 O00255 7/20 0.68
MAPT P10636 8/20 0.58
LMNA P02545 5/20 0.58
NPSR1 Q6W5P4 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
S1PR4 O95977 1/20 0.58
S1PR1 P21453 1/20 0.58
MAPK1 P28482 1/20 0.58
GLO1 Q04760 1/20 0.58
NR1H4 Q96RI1 1/20 0.51
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
PLIN1 O60240 1/20 0.50
POLB P06746 1/20 0.50
PLIN5 Q00G26 1/20 0.50
ABHD5 Q8WTS1 1/20 0.50
KDM4E B2RXH2 3/20 0.46

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
SCHEMBL10772299 0.85 KMT2A (0.70) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL11812896 0.85 KMT2A (0.70) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL11823592 0.83 KMT2A (0.66) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL18131546 0.83 KMT2A (0.66) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL11810976 0.81 MEN1 (0.64) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL31483413 0.81 KMT2A (0.64) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL31488000 0.81 MEN1 (0.64) KMT2AMEN1MAPTLMNANPSR1
Benzene SCHEMBL27988126 0.81 MEN1 (1.00) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL935186 0.81 MEN1 (1.00) KMT2AMEN1MAPTLMNANPSR1
SCHEMBL1068265 0.81 MEN1 (0.85) KMT2AMEN1MAPTLMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1575940-B1 2,4,6-TRISUBSTITUTED PYRIMIDINES AS PHOSPHOTIDYLINOSITOL (PI) 3-KINASE INHIBITORS AND THEIR USE IN THE TREATMENT OF CANCER NOVARTIS AG (CH) 2011-10-05 EP disclosed
EP-2316831-A1 2,4,6-trisubstituted pyrimidines as phosphotidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer Novartis AG (CH) 2011-05-04 EP disclosed
US-7767669-B2 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-03 US disclosed
US-7767669-B2 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-03 US disclosed
US-7767669-B2 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2010-08-03 US disclosed
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE CHIRON CORPORATION (US) 2009-03-05 US disclosed
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE CHIRON CORPORATION (US) 2009-03-05 US disclosed
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE CHIRON CORPORATION (US) 2009-03-05 US disclosed
US-7423148-B2 Small molecule PI 3-kinase inhibitors and methods of their use CHIRON CORPORATION (US) 2008-09-09 US disclosed
US-7423148-B2 Small molecule PI 3-kinase inhibitors and methods of their use CHIRON CORPORATION (US) 2008-09-09 US disclosed
US-7423148-B2 Small molecule PI 3-kinase inhibitors and methods of their use CHIRON CORPORATION (US) 2008-09-09 US disclosed
US-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use NOVARTIS AG (CH) 2004-09-09 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-20040176385-A1 Small molecule PI 3-kinase inhibitors and methods of their use PI4KB, PI4KA, PDPK1 KMT2A 2949/4885MEN1 1528/4885MAPT 1941/4885
US-20090060912-A1 SMALL MOLECULE PI 3-KINASE INHIBITORS AND METHODS OF THEIR USE PI4KB, AKT3, PI4KA KMT2A 2719/4885MEN1 1863/4885MAPT 1913/4885

“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.