SCHEMBL4495601

SCHEMBL4495601

CN(C)CCNC(=O)c1ccc(C=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
SETD7 Q8WTS6 1/20 0.53
HPGD P15428 2/20 0.52
LMNA P02545 2/20 0.51
MAPK1 P28482 2/20 0.51
SLC22A2 O15244 1/20 0.51
SLC22A1 O15245 1/20 0.51
TSHR P16473 1/20 0.51
ACHE P22303 1/20 0.51
CYP2C19 P33261 1/20 0.51
EPHX2 P34913 1/20 0.51
NR1H4 Q96RI1 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
BLM P54132 2/20 0.50
HTT P42858 1/20 0.50
PMP22 Q01453 1/20 0.50
NAMPT P43490 1/20 0.49
THRB P10828 2/20 0.49
THRA P10827 1/20 0.49
HDAC4 P56524 1/20 0.48

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
SCHEMBL17208800 0.91 HPGD (0.65) ALDH1A1HPGDEPHX2NR1H4SMN1; SMN2
SCHEMBL30046741 0.88 ALDH1A1 (0.73) ALDH1A1SETD7HPGDLMNAMAPK1
SCHEMBL22708464 0.86 ALDH1A1 (0.58) ALDH1A1SETD7HPGDLMNAMAPK1
SCHEMBL22708463 0.84 ALDH1A1 (0.57) ALDH1A1SETD7HPGDLMNAMAPK1
SCHEMBL21551921 0.83 HDAC1 (0.57) ALDH1A1SETD7HPGDLMNASMN1; SMN2
SCHEMBL16755652 0.83 ALDH1A1 (0.41) ALDH1A1SETD7HPGDLMNAMAPK1
SCHEMBL6642553 0.82 ALDH1A1 (0.55) ALDH1A1SETD7HPGDSMN1; SMN2HTT
SCHEMBL6642558 0.82 ALDH1A1 (0.55) ALDH1A1SETD7HPGDSMN1; SMN2HTT
SCHEMBL11407954 0.81 ALDH1A1 (0.65) ALDH1A1SETD7HPGDLMNAMAPK1
SCHEMBL10050998 0.81 KDM4E (0.57) ALDH1A1LMNAMAPK1SLC22A2SLC22A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9637491-B2 Pyrazolo[4,3-D]pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-05-02 US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-9422240-B2 Partially saturated nitrogen-containing heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-08-23 US disclosed
US-9238656-B2 Imidazo[4,5-b]pyridine derivatives as ALK and JAK modulators for the treatment of proliferative disorders CEPHALON, INC. (US) 2016-01-19 US disclosed
US-9238656-B2 Imidazo[4,5-b]pyridine derivatives as ALK and JAK modulators for the treatment of proliferative disorders CEPHALON, INC. (US) 2016-01-19 US disclosed
US-9238656-B2 Imidazo[4,5-b]pyridine derivatives as ALK and JAK modulators for the treatment of proliferative disorders CEPHALON, INC. (US) 2016-01-19 US disclosed
EP-2809671-B1 IMIDAZO [4, 5 - B]PYRIDINE DERIVATIVES AS ALK AND JAK MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CEPHALON INC (US) 2016-01-13 EP disclosed
EP-2809671-B1 IMIDAZO [4, 5 - B]PYRIDINE DERIVATIVES AS ALK AND JAK MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CEPHALON INC (US) 2016-01-13 EP disclosed
US-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2015-09-24 US disclosed
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 US disclosed
US-20140350011-A1 Imidazo[4,5-b]pyridine Derivatives as ALK and JAK Modulators for the Treatment of Proliferative Disorders CEPHALON, INC. 2014-11-27 US disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2013116291-A1 IMIDAZO [4, 5 - B] PYRIDINE DERIVATIVES AS ALK AND JAK MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CEPHALON, INC. (US) 2013-08-08 WO disclosed
WO-2013116291-A1 IMIDAZO [4, 5 - B] PYRIDINE DERIVATIVES AS ALK AND JAK MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CEPHALON, INC. (US) 2013-08-08 WO disclosed
US-7566716-B2 Imidazopyrazines as Raf inhibitor compounds ARRAY BIOPHARMA INC. (US) 2009-07-28 US disclosed
US-7566716-B2 Imidazopyrazines as Raf inhibitor compounds ARRAY BIOPHARMA INC. (US) 2009-07-28 US disclosed
US-7566716-B2 Imidazopyrazines as Raf inhibitor compounds ARRAY BIOPHARMA INC. (US) 2009-07-28 US disclosed
EP-1902056-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-03-26 EP disclosed
US-20060281751-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA, INC. 2006-12-14 US disclosed
WO-2006125101-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2006-11-23 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-20150266882-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS LRRK2, MYLK2, MYLK ALDH1A1 3674/4885SETD7 2446/4885HPGD 3245/4885
US-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 ALDH1A1 2293/4885SETD7 40/4885HPGD 118/4885
US-20140350011-A1 Imidazo[4,5-b]pyridine Derivatives as ALK and JAK Modulators for the Treatment of Proliferative Disorders JAK1, ALK, JAK2 ALDH1A1 653/4885SETD7 1465/4885HPGD 1770/4885
US-20060281751-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF ALDH1A1 1780/4885SETD7 4078/4885HPGD 2340/4885

“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.