SCHEMBL1795059

SCHEMBL1795059

COc1ccc(N2CCN(c3ncnc4[nH]nc(Br)c34)CC2)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 2/20 0.54
▸ AKT1 P31749 1/20 0.54
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LRRK2 Q5S007 8/20 0.42
▸ POLB P06746 1/20 0.41
▸ STK4 Q13043 2/20 0.41
▸ STK3 Q13188 2/20 0.41
▸ SLC2A1 P11166 3/20 0.41
▸ SLC2A2 P11168 3/20 0.41
▸ SLC2A3 P11169 3/20 0.41
▸ NTSR1 P30989 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ HRH4 Q9H3N8 1/20 0.39

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
SCHEMBL1791253 0.86 RPS6KB1 (0.72) RPS6KB1AKT1KMT2AMEN1LRRK2
SCHEMBL30384614 0.86 RPS6KB1 (0.72) RPS6KB1AKT1KMT2AMEN1LRRK2
SCHEMBL1789412 0.83 RPS6KB1 (0.46) RPS6KB1AKT1KMT2AMEN1LRRK2
SCHEMBL1789199 0.83 SLC2A1 (0.50) RPS6KB1AKT1LRRK2STK4STK3
SCHEMBL473290 0.80 MEN1 (0.55) RPS6KB1AKT1KMT2AMEN1NTSR1
SCHEMBL1787788 0.78 RPS6KB1 (0.49) RPS6KB1AKT1LRRK2POLBNTSR1
SCHEMBL1791593 0.77 RPS6KB1 (0.55) RPS6KB1AKT1LRRK2STK4STK3
SCHEMBL2178372 0.75 RPS6KB1 (0.37) RPS6KB1AKT1LRRK2STK4STK3
SCHEMBL28474651 0.75 RPS6KB1 (0.42) RPS6KB1AKT1
SCHEMBL1789442 0.75 RPS6KB1 (0.44) RPS6KB1AKT1LRRK2STK4STK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 — — US claimed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 — — US claimed
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 — — EP disclosed
EP-2139484-B9 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2014-06-11 — — EP disclosed
EP-2139483-B9 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2014-05-21 — — EP disclosed
EP-2139483-B1 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2013-09-18 — — EP disclosed
US-8513266-B2 Methods of treating cancer using pyridopyrimidinone inhibitors of PI3K alpha EXELIXIS, INC. (US) 2013-08-20 — — US disclosed
EP-2139484-B1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF PI3K ALPHA EXELIXIS INC (US) 2013-07-17 — — EP disclosed
US-8481001-B2 Combination therapies comprising quinoxaline inhibitors of P13K-alpha for use in the treatment of cancer EXELIXIS, INC. (US) 2013-07-09 — — US disclosed
US-8076338-B2 Such as 6-(4-phenylpiperazin-1-yl)-9H-purine; cell proliferation/differentiation EXELIXIS, INC. (US) 2011-12-13 — — US disclosed
US-7999006-B2 Anticancer agents; mitogen-activated protein kinases (MEK) EXELIXIS, INC. (US) 2011-08-16 — — US disclosed
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 — — US disclosed
US-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA EXELIXIS, INC. (US) 2010-08-19 — — US disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 — — US disclosed
US-20080076774-A1 Kinase Modulators and Methods of Use EXELIXIS, INC. (US) 2008-03-27 — — US disclosed
EP-1750727-A2 KINASE MODULATORS AND METHODS OF USE Exelixis, Inc. (US) 2007-02-14 — — EP disclosed
WO-2005117909-A2 KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2005-12-15 — — 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 (4 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-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K RPS6KB1 444/4885AKT1 153/4885KMT2A 1217/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K RPS6KB1 329/4885AKT1 128/4885KMT2A 1079/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS RPS6KB1 700/4885AKT1 97/4885KMT2A 669/4885
US-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 RPS6KB1 13/4885AKT1 6/4885KMT2A 3849/4885

“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.

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