SCHEMBL473401

SCHEMBL473401

Brc1n[nH]c2ncnc(N3CCN(Cc4cccc5ccccc45)CC3)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.53
GPR84 Q9NQS5 1/20 0.47
DRD4 P21917 3/20 0.45
DRD2 P14416 2/20 0.45
DRD3 P35462 2/20 0.45
AKT2 P31751 1/20 0.45
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
ACHE P22303 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
FAAH O00519 1/20 0.41
PTPN1 P18031 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ABCB1 P08183 1/20 0.39
ABCC1 P33527 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
SCHEMBL473368 0.87 CYP2A13 (0.46) AURKAMAPTALDH1A1SMN1; SMN2FAAH
SCHEMBL473296 0.85 ALDH1A1 (0.49) AKT2MAPTALDH1A1SMN1; SMN2KDM4E
SCHEMBL473395 0.82 RECQL (0.54) MAPTALDH1A1SMN1; SMN2MAPK1ACHE
SCHEMBL473293 0.82 MAPT (0.42) MAPTALDH1A1SMN1; SMN2MAPK1ACHE
SCHEMBL473300 0.78 ALDH1A1 (0.51) MAPTALDH1A1SMN1; SMN2KDM4EABCB1
SCHEMBL1788837 0.78 RPS6KB1 (0.50) DRD4DRD2DRD3AKT2MAPT
SCHEMBL473341 0.78 PDE10A (0.45) MAPTALDH1A1SMN1; SMN2ACHEKDM4E
SCHEMBL1791472 0.77 MAPT (0.56) MAPTALDH1A1SMN1; SMN2POLBMAPK1
SCHEMBL473411 0.77 RPS6KB1 (0.48) AKT2MAPTALDH1A1POLBKDM4E
SCHEMBL473448 0.77 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2POLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1848719-B1 [1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]-PIPERIDINE OR -PIPERAZINE COMPOUNDS AS SERINE-THREONINE KINASE MODULATORS (P70S6K, ATK1 AND ATK2) FOR THE TREATMENT OF IMMUNOLOGICAL, INFLAMMATORY AND PROLIFERATIVE DISEASES EXELIXIS INC (US) 2012-02-01 EP claimed
US-7994172-B2 [1-(3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl](4-chlorophenyl)methanol; kinase-dependent diseases, invasive cell growth, and metabolism EXELIXIS, INC. (US) 2011-08-09 US claimed
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases EXELIXIS, INC. (US) 2008-08-07 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
EP-1848719-B1 [1H-PYRAZOLO[3,4-D]PYRIMIDIN-4-YL]-PIPERIDINE OR -PIPERAZINE COMPOUNDS AS SERINE-THREONINE KINASE MODULATORS (P70S6K, ATK1 AND ATK2) FOR THE TREATMENT OF IMMUNOLOGICAL, INFLAMMATORY AND PROLIFERATIVE DISEASES EXELIXIS INC (US) 2012-02-01 EP disclosed
US-7994172-B2 [1-(3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl](4-chlorophenyl)methanol; kinase-dependent diseases, invasive cell growth, and metabolism EXELIXIS, INC. (US) 2011-08-09 US disclosed
US-7994172-B2 [1-(3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl](4-chlorophenyl)methanol; kinase-dependent diseases, invasive cell growth, and metabolism EXELIXIS, INC. (US) 2011-08-09 US disclosed
US-7994172-B2 [1-(3-bromo-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl](4-chlorophenyl)methanol; kinase-dependent diseases, invasive cell growth, and metabolism EXELIXIS, INC. (US) 2011-08-09 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-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases EXELIXIS, INC. (US) 2008-08-07 US disclosed
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases EXELIXIS, INC. (US) 2008-08-07 US disclosed
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases EXELIXIS, INC. (US) 2008-08-07 US disclosed
US-20080166359-A1 Methods of using MEK inhibitors EXELIXIS, INC. 2008-07-10 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 (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 AURKA 141/4885GPR84 3854/4885DRD4 4870/4885
US-20080188482-A1 [1H-Pyrazolo[3, 4-D]Pyrimidin-4-Yl]-Piperidine or -Piperazine Compounds as Serine-Theoronine Kinase Modulators (P70s6k, Atk1 and Atk2) for the Treatment of Immunological, Inflammatory and Proliferative Diseases PDPK1, MTOR, RPS6KA2 AURKA 622/4885GPR84 1118/4885DRD4 2896/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K AURKA 203/4885GPR84 2004/4885DRD4 4864/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS AURKA 183/4885GPR84 4397/4885DRD4 4880/4885

“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.