SCHEMBL1792145

SCHEMBL1792145

N#Cc1ccc(N2CCN(c3ncnc4[nH]nc(Br)c34)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43
LRRK2 Q5S007 14/20 0.42
MST1 P26927 1/20 0.42
STK4 Q13043 1/20 0.42
STK3 Q13188 1/20 0.42
STK26 Q9P289 1/20 0.42
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
CNR1 P21554 1/20 0.40
MAP4K1 Q92918 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
SCHEMBL1792637 0.86 ACHE (0.45) TP53LRRK2STK4STK3LMNA
SCHEMBL1791436 0.84 MAPT (0.58) TP53LRRK2STK4STK3LMNA
SCHEMBL1790785 0.84 RPS6KB1 (0.47) KDM4ELRRK2LMNAMAPT
SCHEMBL1791472 0.84 MAPT (0.56) KDM4ETP53LRRK2STK4STK3
SCHEMBL1792171 0.81 MAPT (0.45) KDM4ELMNAMAPTMAP4K1
SCHEMBL1791761 0.81 DHFR (0.44) LMNAMAPTMAP4K1
SCHEMBL1793093 0.80 LRRK2 (0.48) LRRK2LMNAMAPTCNR1
SCHEMBL1790798 0.80 MAPT (0.40) LRRK2MST1STK4STK3STK26
SCHEMBL1793877 0.79 DRD2 (0.47) KDM4ELRRK2MAPT
SCHEMBL1789169 0.79 ACHE (0.48) LMNAMAPT

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 18 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
CN-101959516-A Combination therapy comprising quinoxaline PI3K alpha inhibitors for the treatment of cancer EXELIXIS INC 2011-01-26 CN 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 KDM4E 750/4885TP53 1/4885LRRK2 2073/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K KDM4E 835/4885TP53 1/4885LRRK2 1981/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS KDM4E 592/4885TP53 69/4885LRRK2 2081/4885
US-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 KDM4E 1558/4885TP53 740/4885LRRK2 415/4885

“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.