SCHEMBL15280686

SCHEMBL15280686

CC(C)OC(=O)N(C)CCNc1ccn2ncc(Br)c2n1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RET P07949 8/20 0.47
PIM1 P11309 9/20 0.45
PIM2 Q9P1W9 4/20 0.45
NTRK1 P04629 1/20 0.37
NTRK3 Q16288 1/20 0.37
NTRK2 Q16620 1/20 0.37
KDR P35968 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
AAK1 Q2M2I8 1/20 0.33

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
SCHEMBL15280689 0.87 RET (0.48) RETPIM1PIM2KDRIRAK4
SCHEMBL15261338 0.85 RET (0.52) RETPIM1PIM2NTRK1NTRK3
SCHEMBL29660320 0.81 RET (0.75) RETPIM1PIM2KDRAAK1
SCHEMBL29660271 0.81 RET (0.59) RETPIM1PIM2KDR
SCHEMBL19467181 0.81 RET (0.61) RETPIM1PIM2KDR
SCHEMBL16561406 0.80 IRAK4 (0.34) NTRK1NTRK3NTRK2IRAK4AAK1
SCHEMBL15280671 0.80 FYN (0.48) RETPIM1PIM2KDRAAK1
SCHEMBL29660274 0.80 FYN (0.48) RETPIM1PIM2KDRAAK1
SCHEMBL16561388 0.80 IRAK4 (0.34) NTRK1NTRK3NTRK2IRAK4AAK1
SCHEMBL19467005 0.78 RET (0.57) RETPIM1PIM2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2834243-B1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2018-04-25 EP disclosed
US-20170129896-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXION PHARMACEUTICALS INC (US) 2017-05-11 US disclosed
US-20170129896-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE LEXION PHARMACEUTICALS INC (US) 2017-05-11 US disclosed
US-9403832-B2 Pyrazolo[1,5-a]pyrimidine-based compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2016-08-02 US disclosed
US-9403832-B2 Pyrazolo[1,5-a]pyrimidine-based compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2016-08-02 US disclosed
US-20150183792-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2015-07-02 US disclosed
US-20150183792-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2015-07-02 US disclosed
US-8946415-B2 Pyrazolo[1,5-a]pyrimidine-based compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
US-8946415-B2 Pyrazolo[1,5-a]pyrimidine-based compounds, compositions comprising them, and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2015-02-03 US disclosed
US-20130253194-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2013-09-26 US disclosed
US-20130253194-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2013-09-26 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 (3 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-20150183792-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TPX2, MAP3K1, IRAK1 RET 376/4885PIM1 692/4885PIM2 837/4885
US-20170129896-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TPX2, MAP3K1, IRAK1 RET 376/4885PIM1 692/4885PIM2 837/4885
US-20130253194-A1 PYRAZOLO[1,5-a]PYRIMIDINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TPX2, MAP3K1, IRAK1 RET 376/4885PIM1 692/4885PIM2 837/4885

“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.