SCHEMBL1789204

SCHEMBL1789204

c1ccc(N2CCN(c3ncnc4[nH]ccc34)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 1/20 0.72
▸ JAK3 P52333 5/20 0.70
▸ KIT P10721 3/20 0.67
▸ HTR2C P28335 1/20 0.67
▸ LMNA P02545 1/20 0.64
▸ MAPT P10636 1/20 0.64
▸ AKT2 P31751 6/20 0.63
▸ GSK3B P49841 3/20 0.63
▸ LCK P06239 1/20 0.62
▸ DOT1L Q8TEK3 1/20 0.54
▸ AKT1 P31749 1/20 0.52

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
SCHEMBL1789580 0.86 RPS6KB1 (0.73) RPS6KB1JAK3KITHTR2CAKT2
SCHEMBL1789369 0.86 JAK3 (0.67) RPS6KB1JAK3KITHTR2CLMNA
SCHEMBL1792885 0.84 RPS6KB1 (1.00) RPS6KB1JAK3KITHTR2CLMNA
SCHEMBL1818852 0.83 JAK3 (1.00) RPS6KB1JAK3KITHTR2CAKT2
SCHEMBL31550436 0.83 JAK3 (0.93) RPS6KB1JAK3KITHTR2CAKT2
SCHEMBL1792360 0.82 JAK3 (0.62) RPS6KB1JAK3KITHTR2CLMNA
SCHEMBL1793955 0.82 RPS6KB1 (0.71) RPS6KB1JAK3KITHTR2CLMNA
SCHEMBL31499276 0.82 JAK3 (1.00) RPS6KB1JAK3KITHTR2CAKT2
SCHEMBL1333081 0.82 JAK3 (1.00) RPS6KB1JAK3KITHTR2CAKT2
SCHEMBL3954516 0.82 JAK3 (0.74) RPS6KB1JAK3KITHTR2CAKT2

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 23 patents — showing the first 20. 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
CN-111643496-A Methods of using MEK inhibitors 埃克塞利希斯股份有限公司 2020-09-11 — — CN disclosed
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
CN-101959516-B Combination therapy comprising quinoxaline PI3K alpha inhibitors for the treatment of cancer EXELIXIS INC 2013-05-08 — — CN 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-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS PALAU PHARMA, S.A. (ES) 2010-05-06 — — US disclosed
CN-101605540-A Methods of using MEK inhibitors EXELIXIS INC (US) 2009-12-16 — — CN 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 (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-20100209420-A1 METHODS OF TREATING CANCER USING PYRIDOPYRIMIDINONE INHIBITORS OF P13K ALPHA TP53, PHKG1, TNNI3K RPS6KB1 444/4885JAK3 1063/4885KIT 280/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K RPS6KB1 329/4885JAK3 946/4885KIT 415/4885
US-20100113420-A1 PYRROLOPYRIMIDINE DERIVATIVES AS JAK3 INHIBITORS JAK3, JAK2, JAK1 RPS6KB1 469/4885JAK3 1/4885KIT 449/4885
US-20080166359-A1 Methods of using MEK inhibitors BRAF, NRAS, KRAS RPS6KB1 700/4885JAK3 81/4885KIT 71/4885
US-20080076774-A1 Kinase Modulators and Methods of Use AKT3, RPS6KA3, CDK3 RPS6KB1 13/4885JAK3 173/4885KIT 396/4885

“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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